2-(3-chloropropyl)piperidine-1-carboxylic acid

C9H16ClNO2 — CID 68868477

IUPAC2-(3-chloropropyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CCCCl
InChIInChI=1S/C9H16ClNO2/c10-6-3-5-8-4-1-2-7-11(8)9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyHNDBLMNSUMICAU-UHFFFAOYSA-N
MW205.68 g/mol
LogP2.54
Rot. Bonds3

About 2-(3-chloropropyl)piperidine-1-carboxylic acid

2-(3-chloropropyl)piperidine-1-carboxylic acid (PubChem CID 68868477) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-(3-chloropropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloropropyl)piperidine-1-carboxylic acid
PubChem CID68868477
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-(3-chloropropyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CCCCl
InChIInChI=1S/C9H16ClNO2/c10-6-3-5-8-4-1-2-7-11(8)9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyHNDBLMNSUMICAU-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
2-nonylpiperidine-1-carboxylic acid
CID 69469776
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
[2-(3-chloropropyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 55185740
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 63396360
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
1-[2-(3-chloropropyl)pyrrolidin-1-yl]hexan-1-one
CID 63395936
[2-(3-chloropropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622730
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid
CID 175271625
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)piperidine-1-carboxylic acid?
The IUPAC name of 2-(3-chloropropyl)piperidine-1-carboxylic acid (CID 68868477) is 2-(3-chloropropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(3-chloropropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(3-chloropropyl)piperidine-1-carboxylic acid is O=C(O)N1CCCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)piperidine-1-carboxylic acid?
The InChIKey is HNDBLMNSUMICAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c10-6-3-5-8-4-1-2-7-11(8)9(12)13/h8H,1-7H2,(H,12,13).
What are the key properties of 2-(3-chloropropyl)piperidine-1-carboxylic acid?
2-(3-chloropropyl)piperidine-1-carboxylic acid has a molecular weight of 205.68 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68868477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).