(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol

C10H19NO — CID 130856207

IUPAC(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(CC2CC2)C1
InChIInChI=1S/C10H19NO/c1-8-4-10(12)7-11(5-8)6-9-2-3-9/h8-10,12H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyNGFXMDAPNYCFHC-SCZZXKLOSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds2

About (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol

(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol (PubChem CID 130856207) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
PubChem CID130856207
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(CC2CC2)C1
InChIInChI=1S/C10H19NO/c1-8-4-10(12)7-11(5-8)6-9-2-3-9/h8-10,12H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyNGFXMDAPNYCFHC-SCZZXKLOSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol
CID 138739789
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
(3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol
CID 134203251
[4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527069
(3S,5S)-1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-ol
CID 134195557
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122125296
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861
1-(3-chloropropyl)-5-methylpiperidin-3-ol
CID 130943603
(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
CID 130802812

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol?
The IUPAC name of (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol (CID 130856207) is (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol?
The canonical SMILES for (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol is C[C@@H]1C[C@H](O)CN(CC2CC2)C1.
What is the InChIKey of (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol?
The InChIKey is NGFXMDAPNYCFHC-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-4-10(12)7-11(5-8)6-9-2-3-9/h8-10,12H,2-7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol?
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 130856207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).