(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol

C9H17NO — CID 129393768

IUPAC(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
SMILESO[C@H]1CCNC[C@@H]1CC1CC1
InChIInChI=1S/C9H17NO/c11-9-3-4-10-6-8(9)5-7-1-2-7/h7-11H,1-6H2/t8-,9-/m0/s1
InChIKeyYCMSOAOTIRJCDI-IUCAKERBSA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds2

About (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol

(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol (PubChem CID 129393768) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
PubChem CID129393768
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol
SMILESO[C@H]1CCNC[C@@H]1CC1CC1
InChIInChI=1S/C9H17NO/c11-9-3-4-10-6-8(9)5-7-1-2-7/h7-11H,1-6H2/t8-,9-/m0/s1
InChIKeyYCMSOAOTIRJCDI-IUCAKERBSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol?
The IUPAC name of (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol (CID 129393768) is (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol is O[C@H]1CCNC[C@@H]1CC1CC1.
What is the InChIKey of (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol?
The InChIKey is YCMSOAOTIRJCDI-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO/c11-9-3-4-10-6-8(9)5-7-1-2-7/h7-11H,1-6H2/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol?
(3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol has a molecular weight of 155.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(cyclopropylmethyl)piperidin-4-ol is sourced from PubChem (CID 129393768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).