(3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

C15H29NO4 — CID 126968824

IUPAC(3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOCC1[C@H](O)C(O)[C@H](O)CN1CCCC1CCCCC1
InChIInChI=1S/C15H29NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h11-15,17-20H,1-10H2/t12?,13-,14+,15?/m1/s1
InChIKeyWAOKCSPMSBLULX-FUUBYGMNSA-N
MW287.40 g/mol
LogP0.11
Rot. Bonds5

About (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

(3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 126968824) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID126968824
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOCC1[C@H](O)C(O)[C@H](O)CN1CCCC1CCCCC1
InChIInChI=1S/C15H29NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h11-15,17-20H,1-10H2/t12?,13-,14+,15?/m1/s1
InChIKeyWAOKCSPMSBLULX-FUUBYGMNSA-N
XLogP0.11
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 75273736
(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
(2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11816841
(3R,4R,5S)-2-(hydroxymethyl)-1-pentylpiperidine-3,4,5-triol
CID 173374212
2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488
(3R,4R)-1-(12-aminododecyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 46780261
(2R,3R,4R,5S)-1-(2-cyclohexylethyl)-2-methylpiperidine-3,4,5-triol
CID 155286513
6-[(2R,3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexanoic acid;hydrochloride
CID 171394490
(2R,3R,4R,5S)-1-[5-(1-bicyclo[5.2.1]decanylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118411126
2-(hydroxymethyl)-1-(2-sulfanyloxyethyl)piperidine-3,4,5-triol
CID 123186070
(2R,3S,4R,5S)-1-[5-[(4-cyclohexyl-3-fluorocyclohexyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 140802147
(2S,3R,4R,5S)-1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039353

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 126968824) is (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol is OCC1[C@H](O)C(O)[C@H](O)CN1CCCC1CCCCC1.
What is the InChIKey of (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is WAOKCSPMSBLULX-FUUBYGMNSA-N. The full InChI is InChI=1S/C15H29NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h11-15,17-20H,1-10H2/t12?,13-,14+,15?/m1/s1.
What are the key properties of (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
(3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 287.40 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 126968824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).