4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine

C17H30N2 — CID 151401255

IUPAC4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine
SMILESCCCCC1CCN(CCCC2C=CN=CC2)CC1
InChIInChI=1S/C17H30N2/c1-2-3-5-17-9-14-19(15-10-17)13-4-6-16-7-11-18-12-8-16/h7,11-12,16-17H,2-6,8-10,13-15H2,1H3
InChIKeyOWNMFKJBSBENAN-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.27
Rot. Bonds7

About 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine

4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine (PubChem CID 151401255) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine
PubChem CID151401255
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine
SMILESCCCCC1CCN(CCCC2C=CN=CC2)CC1
InChIInChI=1S/C17H30N2/c1-2-3-5-17-9-14-19(15-10-17)13-4-6-16-7-11-18-12-8-16/h7,11-12,16-17H,2-6,8-10,13-15H2,1H3
InChIKeyOWNMFKJBSBENAN-UHFFFAOYSA-N
XLogP4.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(3H-pyrrol-2-yl)piperidine
CID 58108227
4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
CID 59176366
4-(4-Methylpiperidin-1-yl)-3,4-dihydropyridine
CID 66805449
1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine
CID 71214485
2-methyl-3,4,4a,8a-tetrahydro-1H-2,7-naphthyridine
CID 89554216
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
ethane;3-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-3H-azepine
CID 171557270
2-Methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine
CID 143466930
1-tert-butyl-3-(3H-pyrrol-2-yl)piperidine
CID 157588594
(3S)-3-propan-2-yl-1-(3H-pyrrol-2-ylmethyl)piperidine
CID 161088033
3-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-3H-azepine
CID 171557271

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine?
The IUPAC name of 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine (CID 151401255) is 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine.
What is the SMILES notation for 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine?
The canonical SMILES for 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine is CCCCC1CCN(CCCC2C=CN=CC2)CC1.
What is the InChIKey of 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine?
The InChIKey is OWNMFKJBSBENAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-3-5-17-9-14-19(15-10-17)13-4-6-16-7-11-18-12-8-16/h7,11-12,16-17H,2-6,8-10,13-15H2,1H3.
What are the key properties of 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine?
4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine has a molecular weight of 262.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydropyridine is sourced from PubChem (CID 151401255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).