1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine

C20H29N — CID 146188955

IUPAC1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine
SMILESC/C=C\C=C(/C)C(CC1CCCCN1C)c1ccccc1
InChIInChI=1S/C20H29N/c1-4-5-11-17(2)20(18-12-7-6-8-13-18)16-19-14-9-10-15-21(19)3/h4-8,11-13,19-20H,9-10,14-16H2,1-3H3/b5-4-,17-11+
InChIKeyDXKCZIPHNYDUFV-AKMVBMTPSA-N
MW283.46 g/mol
LogP5.17
Rot. Bonds5

About 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine

1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine (PubChem CID 146188955) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine
PubChem CID146188955
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine
SMILESC/C=C\C=C(/C)C(CC1CCCCN1C)c1ccccc1
InChIInChI=1S/C20H29N/c1-4-5-11-17(2)20(18-12-7-6-8-13-18)16-19-14-9-10-15-21(19)3/h4-8,11-13,19-20H,9-10,14-16H2,1-3H3/b5-4-,17-11+
InChIKeyDXKCZIPHNYDUFV-AKMVBMTPSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334
(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
CID 11708725
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
[4-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54137242
[2-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54224947
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 111113369
2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine
CID 54501628
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
4-ethyl-2-[2-(1-methylpiperidin-2-yl)-1-phenylethyl]phenol;hydron;bromide
CID 157458003
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine?
The IUPAC name of 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine (CID 146188955) is 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine.
What is the SMILES notation for 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine?
The canonical SMILES for 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine is C/C=C\C=C(/C)C(CC1CCCCN1C)c1ccccc1.
What is the InChIKey of 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine?
The InChIKey is DXKCZIPHNYDUFV-AKMVBMTPSA-N. The full InChI is InChI=1S/C20H29N/c1-4-5-11-17(2)20(18-12-7-6-8-13-18)16-19-14-9-10-15-21(19)3/h4-8,11-13,19-20H,9-10,14-16H2,1-3H3/b5-4-,17-11+.
What are the key properties of 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine?
1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine has a molecular weight of 283.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3E,5Z)-3-methyl-2-phenylhepta-3,5-dienyl]piperidine is sourced from PubChem (CID 146188955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).