1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine

C19H35N — CID 57008043

IUPAC1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine
SMILESCCCC(CC)C(=CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C19H35N/c1-3-11-18(4-2)19(20-14-9-6-10-15-20)16-17-12-7-5-8-13-17/h16-18H,3-15H2,1-2H3
InChIKeyZYUAWBBPURAZKX-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.76
Rot. Bonds6

About 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine

1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine (PubChem CID 57008043) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine
PubChem CID57008043
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine
SMILESCCCC(CC)C(=CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C19H35N/c1-3-11-18(4-2)19(20-14-9-6-10-15-20)16-17-12-7-5-8-13-17/h16-18H,3-15H2,1-2H3
InChIKeyZYUAWBBPURAZKX-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine?
The IUPAC name of 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine (CID 57008043) is 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine.
What is the SMILES notation for 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine?
The canonical SMILES for 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine is CCCC(CC)C(=CC1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine?
The InChIKey is ZYUAWBBPURAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-3-11-18(4-2)19(20-14-9-6-10-15-20)16-17-12-7-5-8-13-17/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine?
1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine has a molecular weight of 277.50 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3-ethylhex-1-en-2-yl)piperidine is sourced from PubChem (CID 57008043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).