1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid

C15H19NO2 — CID 112558554

IUPAC1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C15H19NO2/c17-14(18)15(8-9-15)12-4-6-13(7-5-12)16-10-2-1-3-11-16/h4-7H,1-3,8-11H2,(H,17,18)
InChIKeyHAXKWJXKOTZMHF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid

1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 112558554) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID112558554
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C15H19NO2/c17-14(18)15(8-9-15)12-4-6-13(7-5-12)16-10-2-1-3-11-16/h4-7H,1-3,8-11H2,(H,17,18)
InChIKeyHAXKWJXKOTZMHF-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117466052
4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 68506569
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 112557964
1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117474090
carbamic acid;1-phenylpiperidine
CID 161473217
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-[4-(1-carboxycyclobutyl)phenyl]pyrrolidine-2-carboxylic acid
CID 82537977
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692
1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 66661793
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid (CID 112558554) is 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is HAXKWJXKOTZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18)15(8-9-15)12-4-6-13(7-5-12)16-10-2-1-3-11-16/h4-7H,1-3,8-11H2,(H,17,18).
What are the key properties of 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid?
1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112558554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).