1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine

C22H34N2 — CID 71276626

IUPAC1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine
SMILESC1=C(C=C2CCN(C3CCC3)CC2)CCC(CN2CCCCC2)=C1
InChIInChI=1S/C22H34N2/c1-2-13-23(14-3-1)18-21-9-7-19(8-10-21)17-20-11-15-24(16-12-20)22-5-4-6-22/h7,9,17,22H,1-6,8,10-16,18H2
InChIKeyZQCQJEZGPWUXBY-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.69
Rot. Bonds4

About 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine

1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine (PubChem CID 71276626) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine.

Molecular Properties

Compound Name1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine
PubChem CID71276626
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine
SMILESC1=C(C=C2CCN(C3CCC3)CC2)CCC(CN2CCCCC2)=C1
InChIInChI=1S/C22H34N2/c1-2-13-23(14-3-1)18-21-9-7-19(8-10-21)17-20-11-15-24(16-12-20)22-5-4-6-22/h7,9,17,22H,1-6,8,10-16,18H2
InChIKeyZQCQJEZGPWUXBY-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine?
The IUPAC name of 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine (CID 71276626) is 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine.
What is the SMILES notation for 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine?
The canonical SMILES for 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine is C1=C(C=C2CCN(C3CCC3)CC2)CCC(CN2CCCCC2)=C1.
What is the InChIKey of 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine?
The InChIKey is ZQCQJEZGPWUXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-2-13-23(14-3-1)18-21-9-7-19(8-10-21)17-20-11-15-24(16-12-20)22-5-4-6-22/h7,9,17,22H,1-6,8,10-16,18H2.
What are the key properties of 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine?
1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine has a molecular weight of 326.53 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine is sourced from PubChem (CID 71276626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).