4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine

C18H35N — CID 170275881

IUPAC4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine
SMILESCCC(C)CC(CC1CCCC1)C1CCN(C)CC1
InChIInChI=1S/C18H35N/c1-4-15(2)13-18(14-16-7-5-6-8-16)17-9-11-19(3)12-10-17/h15-18H,4-14H2,1-3H3
InChIKeyOQAGABHEFATNGJ-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.96
Rot. Bonds6

About 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine

4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine (PubChem CID 170275881) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine
PubChem CID170275881
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine
SMILESCCC(C)CC(CC1CCCC1)C1CCN(C)CC1
InChIInChI=1S/C18H35N/c1-4-15(2)13-18(14-16-7-5-6-8-16)17-9-11-19(3)12-10-17/h15-18H,4-14H2,1-3H3
InChIKeyOQAGABHEFATNGJ-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine?
The IUPAC name of 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine (CID 170275881) is 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine?
The canonical SMILES for 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine is CCC(C)CC(CC1CCCC1)C1CCN(C)CC1.
What is the InChIKey of 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine?
The InChIKey is OQAGABHEFATNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-15(2)13-18(14-16-7-5-6-8-16)17-9-11-19(3)12-10-17/h15-18H,4-14H2,1-3H3.
What are the key properties of 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine?
4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine has a molecular weight of 265.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-4-methylhexan-2-yl)-1-methylpiperidine is sourced from PubChem (CID 170275881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).