1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine

C19H33N — CID 142354921

IUPAC1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine
SMILESC/C=C(C(\C)=C\C)/C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C19H33N/c1-4-16(3)19(5-2)18-11-13-20(14-12-18)15-17-9-7-6-8-10-17/h4-5,17-18H,6-15H2,1-3H3/b16-4+,19-5+
InChIKeyNZBTUPGMIBEALN-QLQDTXNKSA-N
MW275.48 g/mol
LogP5.19
Rot. Bonds4

About 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine

1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine (PubChem CID 142354921) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine
PubChem CID142354921
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine
SMILESC/C=C(C(\C)=C\C)/C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C19H33N/c1-4-16(3)19(5-2)18-11-13-20(14-12-18)15-17-9-7-6-8-10-17/h4-5,17-18H,6-15H2,1-3H3/b16-4+,19-5+
InChIKeyNZBTUPGMIBEALN-QLQDTXNKSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.19
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

1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne
CID 143571161
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1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
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CID 65458520
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
1-(cyclobutylmethyl)piperidine-4-carbaldehyde
CID 65461855
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-(cyclohexylmethyl)piperidin-4-ol;trifluoromethanol
CID 157039193
4-(cyclohexylmethyl)morpholine
CID 641545
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine?
The IUPAC name of 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine (CID 142354921) is 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine is C/C=C(C(\C)=C\C)/C1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine?
The InChIKey is NZBTUPGMIBEALN-QLQDTXNKSA-N. The full InChI is InChI=1S/C19H33N/c1-4-16(3)19(5-2)18-11-13-20(14-12-18)15-17-9-7-6-8-10-17/h4-5,17-18H,6-15H2,1-3H3/b16-4+,19-5+.
What are the key properties of 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine?
1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine has a molecular weight of 275.48 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine is sourced from PubChem (CID 142354921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).