2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride

C10H20ClNO2 — CID 75530728

IUPAC2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
SMILESCCCN1CCC(CC(=O)O)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-5-11-6-3-9(4-7-11)8-10(12)13;/h9H,2-8H2,1H3,(H,12,13);1H
InChIKeyVGDNDYGUSXGOLC-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.00
Rot. Bonds4

About 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride

2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride (PubChem CID 75530728) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
PubChem CID75530728
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
SMILESCCCN1CCC(CC(=O)O)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-5-11-6-3-9(4-7-11)8-10(12)13;/h9H,2-8H2,1H3,(H,12,13);1H
InChIKeyVGDNDYGUSXGOLC-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 65069382
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077
2-[1-(3,3-difluorobutyl)piperidin-4-yl]acetic acid
CID 84698559
2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
CID 79605681
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
2-(1-but-2-enylpiperidin-4-yl)acetic acid
CID 79606050
2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid
CID 116616826
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride (CID 75530728) is 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride is CCCN1CCC(CC(=O)O)CC1.Cl.
What is the InChIKey of 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride?
The InChIKey is VGDNDYGUSXGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-2-5-11-6-3-9(4-7-11)8-10(12)13;/h9H,2-8H2,1H3,(H,12,13);1H.
What are the key properties of 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride?
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 75530728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).