1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine

C19H29N — CID 57002707

IUPAC1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine
SMILESCCCC1(c2ccccc2)CCN(CC2CC2)CC1C
InChIInChI=1S/C19H29N/c1-3-11-19(18-7-5-4-6-8-18)12-13-20(14-16(19)2)15-17-9-10-17/h4-8,16-17H,3,9-15H2,1-2H3
InChIKeySPXJWYJCNMPMTM-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.48
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine

1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine (PubChem CID 57002707) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine
PubChem CID57002707
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine
SMILESCCCC1(c2ccccc2)CCN(CC2CC2)CC1C
InChIInChI=1S/C19H29N/c1-3-11-19(18-7-5-4-6-8-18)12-13-20(14-16(19)2)15-17-9-10-17/h4-8,16-17H,3,9-15H2,1-2H3
InChIKeySPXJWYJCNMPMTM-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide
CID 70588527
6-(cyclopropylmethyl)-1-methylsulfonyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine
CID 134070679
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123
1-butyl-4-ethyl-4-phenyl-3-propylpiperidine
CID 54461245
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol
CID 162632619
1-(cyclopropylmethyl)-4-methyl-4-(2-propylphenyl)piperidine
CID 138749021
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
CID 145118724
(4aS,8aR)-2-(cyclopropylmethyl)-4a-(3-methoxyphenyl)-6-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22807503
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
ethyl (3S,4S)-1,3-dimethyl-4-phenylazepane-4-carboxylate
CID 76967995

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine?
The IUPAC name of 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine (CID 57002707) is 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine is CCCC1(c2ccccc2)CCN(CC2CC2)CC1C.
What is the InChIKey of 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine?
The InChIKey is SPXJWYJCNMPMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-11-19(18-7-5-4-6-8-18)12-13-20(14-16(19)2)15-17-9-10-17/h4-8,16-17H,3,9-15H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine?
1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine has a molecular weight of 271.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine is sourced from PubChem (CID 57002707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).