1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone

C14H26N2O2 — CID 113293617

IUPAC1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2(CO)CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(18)16-8-4-13(5-9-16)15-10-14(11-17)6-2-3-7-14/h13,15,17H,2-11H2,1H3
InChIKeyFQQIRGIRLNYRQX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds4

About 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone

1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone (PubChem CID 113293617) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
PubChem CID113293617
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2(CO)CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(18)16-8-4-13(5-9-16)15-10-14(11-17)6-2-3-7-14/h13,15,17H,2-11H2,1H3
InChIKeyFQQIRGIRLNYRQX-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115358675
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 81412863
1-[4-[(1-propan-2-ylcyclopropyl)methylamino]piperidin-1-yl]ethanone
CID 103743396
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965937
[1-[[(1-oxothian-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359582
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol
CID 81419732
1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
CID 107268371
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 65116415
2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112703981
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone (CID 113293617) is 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC2(CO)CCCC2)CC1.
What is the InChIKey of 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone?
The InChIKey is FQQIRGIRLNYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(18)16-8-4-13(5-9-16)15-10-14(11-17)6-2-3-7-14/h13,15,17H,2-11H2,1H3.
What are the key properties of 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone?
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 113293617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).