6-piperidin-4-ylhexanoic acid;hydrochloride

C11H22ClNO2 — CID 175496975

IUPAC6-piperidin-4-ylhexanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCC1CCNCC1
InChIInChI=1S/C11H21NO2.ClH/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10;/h10,12H,1-9H2,(H,13,14);1H
InChIKeyGSFFBONNBGQRNM-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.44
Rot. Bonds6

About 6-piperidin-4-ylhexanoic acid;hydrochloride

6-piperidin-4-ylhexanoic acid;hydrochloride (PubChem CID 175496975) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 6-piperidin-4-ylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name6-piperidin-4-ylhexanoic acid;hydrochloride
PubChem CID175496975
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name6-piperidin-4-ylhexanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCC1CCNCC1
InChIInChI=1S/C11H21NO2.ClH/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10;/h10,12H,1-9H2,(H,13,14);1H
InChIKeyGSFFBONNBGQRNM-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
16-[4-(aminomethyl)cyclohexyl]hexadecanoic acid
CID 67111658
bis(hexanedioic acid);piperazine
CID 159642331
5-piperidin-4-ylpentan-1-ol
CID 20528701
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
CID 175797428
2-methyl-2-piperidin-4-yldecanedioic acid
CID 67134863
decanedioic acid;bis(piperidine)
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3-pyrrolidin-3-ylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-ylhexanoic acid;hydrochloride?
The IUPAC name of 6-piperidin-4-ylhexanoic acid;hydrochloride (CID 175496975) is 6-piperidin-4-ylhexanoic acid;hydrochloride.
What is the SMILES notation for 6-piperidin-4-ylhexanoic acid;hydrochloride?
The canonical SMILES for 6-piperidin-4-ylhexanoic acid;hydrochloride is Cl.O=C(O)CCCCCC1CCNCC1.
What is the InChIKey of 6-piperidin-4-ylhexanoic acid;hydrochloride?
The InChIKey is GSFFBONNBGQRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10;/h10,12H,1-9H2,(H,13,14);1H.
What are the key properties of 6-piperidin-4-ylhexanoic acid;hydrochloride?
6-piperidin-4-ylhexanoic acid;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-ylhexanoic acid;hydrochloride is sourced from PubChem (CID 175496975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).