1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid

C24H31NO3 — CID 5013818

IUPAC1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
SMILESCCCCC(c1ccc(OCc2ccccc2)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C24H31NO3/c1-2-3-9-23(25-16-14-21(15-17-25)24(26)27)20-10-12-22(13-11-20)28-18-19-7-5-4-6-8-19/h4-8,10-13,21,23H,2-3,9,14-18H2,1H3,(H,26,27)
InChIKeyNFAMPANDRFNVBQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.29
Rot. Bonds9

About 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid

1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid (PubChem CID 5013818) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
PubChem CID5013818
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
SMILESCCCCC(c1ccc(OCc2ccccc2)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C24H31NO3/c1-2-3-9-23(25-16-14-21(15-17-25)24(26)27)20-10-12-22(13-11-20)28-18-19-7-5-4-6-8-19/h4-8,10-13,21,23H,2-3,9,14-18H2,1H3,(H,26,27)
InChIKeyNFAMPANDRFNVBQ-UHFFFAOYSA-N
XLogP5.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
CID 4664073
1-[[4-(dimethylamino)phenyl]-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5038797
1-[1-(3-bromophenyl)pentyl]piperidine-4-carboxylic acid
CID 3908536
1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
CID 4588574
1-[(4-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3526557
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3993726
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5161251
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
1-[1-(6-methyl-2-pyridinyl)pentyl]piperidine-4-carboxylic acid
CID 3363485
1-[(2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3279409

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid (CID 5013818) is 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid is CCCCC(c1ccc(OCc2ccccc2)cc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid?
The InChIKey is NFAMPANDRFNVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-2-3-9-23(25-16-14-21(15-17-25)24(26)27)20-10-12-22(13-11-20)28-18-19-7-5-4-6-8-19/h4-8,10-13,21,23H,2-3,9,14-18H2,1H3,(H,26,27).
What are the key properties of 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid?
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid has a molecular weight of 381.52 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5013818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).