1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane

C18H29N — CID 145118724

IUPAC1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
SMILESCC.CC1CN(CC2CC2)CCC1c1ccccc1
InChIInChI=1S/C16H23N.C2H6/c1-13-11-17(12-14-7-8-14)10-9-16(13)15-5-3-2-4-6-15;1-2/h2-6,13-14,16H,7-12H2,1H3;1-2H3
InChIKeyVVDRUXUWOIQQRU-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.55
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane

1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane (PubChem CID 145118724) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
PubChem CID145118724
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
SMILESCC.CC1CN(CC2CC2)CCC1c1ccccc1
InChIInChI=1S/C16H23N.C2H6/c1-13-11-17(12-14-7-8-14)10-9-16(13)15-5-3-2-4-6-15;1-2/h2-6,13-14,16H,7-12H2,1H3;1-2H3
InChIKeyVVDRUXUWOIQQRU-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-1-(cyclopropylmethyl)-4-phenylpiperidine
CID 134195448
3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
CID 119923167
4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
1-ethyl-3-methyl-4-phenylpyrrolidine
CID 130451678
(3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine
CID 91090574
1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 111462788
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane
CID 90986879
(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine
CID 134195505

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane?
The IUPAC name of 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane (CID 145118724) is 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane?
The canonical SMILES for 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane is CC.CC1CN(CC2CC2)CCC1c1ccccc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane?
The InChIKey is VVDRUXUWOIQQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C2H6/c1-13-11-17(12-14-7-8-14)10-9-16(13)15-5-3-2-4-6-15;1-2/h2-6,13-14,16H,7-12H2,1H3;1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane?
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane has a molecular weight of 259.44 g/mol, XLogP of 4.55, 3 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-phenylpiperidine;ethane is sourced from PubChem (CID 145118724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).