1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid

C12H21NO3 — CID 65213026

IUPAC1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C12H21NO3/c14-11(15)10-3-7-13(8-4-10)9-12(16)5-1-2-6-12/h10,16H,1-9H2,(H,14,15)
InChIKeyORDSRYUHDSMHLZ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.09
Rot. Bonds3

About 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid

1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid (PubChem CID 65213026) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
PubChem CID65213026
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC2(O)CCCC2)CC1
InChIInChI=1S/C12H21NO3/c14-11(15)10-3-7-13(8-4-10)9-12(16)5-1-2-6-12/h10,16H,1-9H2,(H,14,15)
InChIKeyORDSRYUHDSMHLZ-UHFFFAOYSA-N
XLogP1.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]piperidine-3-carboxylic acid
CID 65213320
4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 106498407
4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498528
1-[(4-fluoropiperidin-1-yl)methyl]cyclopentan-1-ol
CID 126846312
1-[(1-hydroxycyclopentyl)methyl]piperidin-4-ol
CID 65213146
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498556
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid
CID 65214064
4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 106498493
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47395832
4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106670155
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]acetic acid
CID 65213418
1-acetyl-4-[(1-hydroxycycloheptyl)methyl]-1,4-diazepane-6-carboxylic acid
CID 132649094

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid (CID 65213026) is 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CC2(O)CCCC2)CC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is ORDSRYUHDSMHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11(15)10-3-7-13(8-4-10)9-12(16)5-1-2-6-12/h10,16H,1-9H2,(H,14,15).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid?
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65213026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).