5-piperidin-1-ylpentanoic acid;hydrochloride

C10H20ClNO2 — CID 54592761

IUPAC5-piperidin-1-ylpentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCN1CCCCC1
InChIInChI=1S/C10H19NO2.ClH/c12-10(13)6-2-5-9-11-7-3-1-4-8-11;/h1-9H2,(H,12,13);1H
InChIKeyDHPWBXBFXOJSNL-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.15
Rot. Bonds5

About 5-piperidin-1-ylpentanoic acid;hydrochloride

5-piperidin-1-ylpentanoic acid;hydrochloride (PubChem CID 54592761) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 5-piperidin-1-ylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-piperidin-1-ylpentanoic acid;hydrochloride
PubChem CID54592761
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name5-piperidin-1-ylpentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCN1CCCCC1
InChIInChI=1S/C10H19NO2.ClH/c12-10(13)6-2-5-9-11-7-3-1-4-8-11;/h1-9H2,(H,12,13);1H
InChIKeyDHPWBXBFXOJSNL-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Piperidin-1-yl)butanoic acid hydrochloride
CID 13172081
4-carboxy-N,N,N-trimethyl-1-butanaminium chloride
CID 70693161
2-(1-Methylpiperidin-4-yl)acetic acid hydrochloride
CID 12428149
5-(Dimethylamino)pentanoic acid hydrochloride
CID 22832099
2-(1-Methylpiperidin-4-yl)acetic acid
CID 428619
1-(2-Methylpropyl)piperidine-3-carboxylic acid
CID 16769591
1-Ethylpiperidine-3-carboxylic acid hydrochloride
CID 45075038
2-(1-Ethylpiperidin-4-yl)acetic acid hydrochloride
CID 45595305
5-(Pyrrolidin-1-yl)pentanoic acid hydrochloride
CID 45792451
2-[1-(Propan-2-yl)piperidin-4-yl]acetic acid hydrochloride
CID 68451421
3-Carboxy-1,1-dimethylpiperidin-1-ium chloride
CID 44382203
4-Carboxybutyl(tripropyl)azanium chloride
CID 70686869

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylpentanoic acid;hydrochloride?
The IUPAC name of 5-piperidin-1-ylpentanoic acid;hydrochloride (CID 54592761) is 5-piperidin-1-ylpentanoic acid;hydrochloride.
What is the SMILES notation for 5-piperidin-1-ylpentanoic acid;hydrochloride?
The canonical SMILES for 5-piperidin-1-ylpentanoic acid;hydrochloride is Cl.O=C(O)CCCCN1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylpentanoic acid;hydrochloride?
The InChIKey is DHPWBXBFXOJSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c12-10(13)6-2-5-9-11-7-3-1-4-8-11;/h1-9H2,(H,12,13);1H.
What are the key properties of 5-piperidin-1-ylpentanoic acid;hydrochloride?
5-piperidin-1-ylpentanoic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylpentanoic acid;hydrochloride is sourced from PubChem (CID 54592761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).