(2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol

C51H102N4O16 — CID 161445653

IUPAC(2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
SMILESCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CC1.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCC1
InChIInChI=1S/C15H31NO4.C14H29NO4.C12H23NO4.C10H19NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17;1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16;14-7-9-11(16)12(17)10(15)6-13(9)5-8-3-1-2-4-8;12-5-7-9(14)10(15)8(13)4-11(7)3-6-1-2-6/h12-15,17-20H,2-11H2,1H3;11-14,16-19H,2-10H2,1H3;8-12,14-17H,1-7H2;6-10,12-15H,1-5H2/t12-,13+,14-,15-;11-,12+,13-,14-;9-,10+,11-,12-;7-,8+,9-,10-/m1111/s1
InChIKeyVZVYLHYOKRQAOJ-YXUUIRACSA-N
MW1027.39 g/mol
LogP-2.31
Rot. Bonds23

About (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol

(2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol (PubChem CID 161445653) has the molecular formula C51H102N4O16 and a molecular weight of 1027.39 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
PubChem CID161445653
Molecular FormulaC51H102N4O16
Molecular Weight1027.39 g/mol
Exact Mass1026.73
IUPAC Name(2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
SMILESCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CC1.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCC1
InChIInChI=1S/C15H31NO4.C14H29NO4.C12H23NO4.C10H19NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17;1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16;14-7-9-11(16)12(17)10(15)6-13(9)5-8-3-1-2-4-8;12-5-7-9(14)10(15)8(13)4-11(7)3-6-1-2-6/h12-15,17-20H,2-11H2,1H3;11-14,16-19H,2-10H2,1H3;8-12,14-17H,1-7H2;6-10,12-15H,1-5H2/t12-,13+,14-,15-;11-,12+,13-,14-;9-,10+,11-,12-;7-,8+,9-,10-/m1111/s1
InChIKeyVZVYLHYOKRQAOJ-YXUUIRACSA-N
XLogP-2.31
TPSA336.64 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.39
LogP ≤ 5-2.31
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol with MolForge

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Related Compounds

2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488
(3R,4R,5S)-2-(hydroxymethyl)-1-pentylpiperidine-3,4,5-triol
CID 173374212
(2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11816841
(2R,3R,4R,5S)-1-(2-hexoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11952073
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-(6-propoxyhexyl)piperidine-3,4,5-triol
CID 95162773
(3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 126968824
1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 75273736
(2S,3R,4R,5S)-1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039353
(3R,4S,5S)-5-chloro-2-(hydroxymethyl)-1-nonylpiperidine-3,4-diol
CID 173327207
(2R,3R,4S,5R)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
CID 132608579
(3R,4R)-1-(12-aminododecyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 46780261
(2R,3R,4R)-2-(hydroxymethyl)-1-octylpiperidine-3,4-diol
CID 15946960

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol (CID 161445653) is (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol is CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CC1.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCC1.
What is the InChIKey of (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol?
The InChIKey is VZVYLHYOKRQAOJ-YXUUIRACSA-N. The full InChI is InChI=1S/C15H31NO4.C14H29NO4.C12H23NO4.C10H19NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17;1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16;14-7-9-11(16)12(17)10(15)6-13(9)5-8-3-1-2-4-8;12-5-7-9(14)10(15)8(13)4-11(7)3-6-1-2-6/h12-15,17-20H,2-11H2,1H3;11-14,16-19H,2-10H2,1H3;8-12,14-17H,1-7H2;6-10,12-15H,1-5H2/t12-,13+,14-,15-;11-,12+,13-,14-;9-,10+,11-,12-;7-,8+,9-,10-/m1111/s1.
What are the key properties of (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol has a molecular weight of 1027.39 g/mol, XLogP of -2.31, 23 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-1-(cyclopropylmethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol is sourced from PubChem (CID 161445653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).