4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine

C21H28N2 — CID 22970094

IUPAC4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine
SMILESCCCCC1CCN(C(c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C21H28N2/c1-2-3-7-18-12-16-23(17-13-18)21(19-8-5-4-6-9-19)20-10-14-22-15-11-20/h4-6,8-11,14-15,18,21H,2-3,7,12-13,16-17H2,1H3
InChIKeyQCIXDJMAUNDTIB-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.07
Rot. Bonds6

About 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine

4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine (PubChem CID 22970094) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine.

Molecular Properties

Compound Name4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine
PubChem CID22970094
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine
SMILESCCCCC1CCN(C(c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C21H28N2/c1-2-3-7-18-12-16-23(17-13-18)21(19-8-5-4-6-9-19)20-10-14-22-15-11-20/h4-6,8-11,14-15,18,21H,2-3,7,12-13,16-17H2,1H3
InChIKeyQCIXDJMAUNDTIB-UHFFFAOYSA-N
XLogP5.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-4-octylpiperidine;hydrobromide
CID 54609247
3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine
CID 23381417
benzyl 4-[(4-butylpiperidin-1-yl)-phenylmethyl]benzoate
CID 22970140
1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine
CID 23381404
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 62200154
1-benzhydryl-4-butylpiperazine
CID 13416419
[(4-butylcyclohexyl)-chloromethyl]benzene
CID 63429103
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 174413644
N-methyl-3,3-diphenyl-N-[1-[phenyl(pyridin-4-yl)methyl]pyrrolidin-3-yl]propanamide
CID 69057549
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzhydrylpiperidin-4-amine;cyclobutane
CID 18425735

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine?
The IUPAC name of 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine (CID 22970094) is 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine.
What is the SMILES notation for 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine?
The canonical SMILES for 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine is CCCCC1CCN(C(c2ccccc2)c2ccncc2)CC1.
What is the InChIKey of 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine?
The InChIKey is QCIXDJMAUNDTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-2-3-7-18-12-16-23(17-13-18)21(19-8-5-4-6-9-19)20-10-14-22-15-11-20/h4-6,8-11,14-15,18,21H,2-3,7,12-13,16-17H2,1H3.
What are the key properties of 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine?
4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine has a molecular weight of 308.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine is sourced from PubChem (CID 22970094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).