2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile

C14H24N2O — CID 61406591

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1N1CCCCC1CO
InChIInChI=1S/C14H24N2O/c15-10-12-6-2-1-3-8-14(12)16-9-5-4-7-13(16)11-17/h12-14,17H,1-9,11H2
InChIKeyLPRNOZDCOJXPJW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds2

About 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile

2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile (PubChem CID 61406591) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
PubChem CID61406591
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1N1CCCCC1CO
InChIInChI=1S/C14H24N2O/c15-10-12-6-2-1-3-8-14(12)16-9-5-4-7-13(16)11-17/h12-14,17H,1-9,11H2
InChIKeyLPRNOZDCOJXPJW-UHFFFAOYSA-N
XLogP2.31
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 62467729
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 61407617
4-ethyl-2-(2-ethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291929
[1-[2-(aminomethyl)cyclohexyl]pyrrolidin-2-yl]methanol
CID 61407519
4-tert-butyl-2-(2-ethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 104689861
(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol
CID 130906068
4-[2-(hydroxymethyl)piperidin-1-yl]azepan-2-one
CID 63887904
(1-hydroxypiperidin-2-yl)methanol
CID 91286383
1-(2-cyanocyclopentyl)pyrrolidine-2-carboxamide
CID 43291855
2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile
CID 61441141
2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291712

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile (CID 61406591) is 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile is N#CC1CCCCCC1N1CCCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile?
The InChIKey is LPRNOZDCOJXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-10-12-6-2-1-3-8-14(12)16-9-5-4-7-13(16)11-17/h12-14,17H,1-9,11H2.
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile?
2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile is sourced from PubChem (CID 61406591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).