1-butyl-4-(1-methylcyclopentyl)piperidine;ethane

C17H35N — CID 177203616

IUPAC1-butyl-4-(1-methylcyclopentyl)piperidine;ethane
SMILESCC.CCCCN1CCC(C2(C)CCCC2)CC1
InChIInChI=1S/C15H29N.C2H6/c1-3-4-11-16-12-7-14(8-13-16)15(2)9-5-6-10-15;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyQHGINOSBQGYVAF-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.11
Rot. Bonds4

About 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane

1-butyl-4-(1-methylcyclopentyl)piperidine;ethane (PubChem CID 177203616) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane.

Molecular Properties

Compound Name1-butyl-4-(1-methylcyclopentyl)piperidine;ethane
PubChem CID177203616
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-butyl-4-(1-methylcyclopentyl)piperidine;ethane
SMILESCC.CCCCN1CCC(C2(C)CCCC2)CC1
InChIInChI=1S/C15H29N.C2H6/c1-3-4-11-16-12-7-14(8-13-16)15(2)9-5-6-10-15;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyQHGINOSBQGYVAF-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane?
The IUPAC name of 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane (CID 177203616) is 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane.
What is the SMILES notation for 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane?
The canonical SMILES for 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane is CC.CCCCN1CCC(C2(C)CCCC2)CC1.
What is the InChIKey of 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane?
The InChIKey is QHGINOSBQGYVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N.C2H6/c1-3-4-11-16-12-7-14(8-13-16)15(2)9-5-6-10-15;1-2/h14H,3-13H2,1-2H3;1-2H3.
What are the key properties of 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane?
1-butyl-4-(1-methylcyclopentyl)piperidine;ethane has a molecular weight of 253.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-methylcyclopentyl)piperidine;ethane is sourced from PubChem (CID 177203616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).