1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine

C17H28N2 — CID 143419479

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine
SMILESC1=CC(CN2CCC(N3CCCCC3)CC2)=CCC1
InChIInChI=1S/C17H28N2/c1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19/h3,7-8,17H,1-2,4-6,9-15H2
InChIKeyRSVHOZXBAFIQNF-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.21
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine (PubChem CID 143419479) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine
PubChem CID143419479
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine
SMILESC1=CC(CN2CCC(N3CCCCC3)CC2)=CCC1
InChIInChI=1S/C17H28N2/c1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19/h3,7-8,17H,1-2,4-6,9-15H2
InChIKeyRSVHOZXBAFIQNF-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-Piperidin-1-ylcyclopent-2-en-1-yl)piperidine
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CID 59065338
CID 59065338
1-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethylpiperidin-4-amine
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CID 70027195
1-(4-Methylcyclohexa-2,4-dien-1-yl)-4-pyrrolidin-1-ylpiperidine
CID 70843755
4-(4-Piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
CID 70994776
1-Cyclobutyl-4-(cyclohexa-1,5-dien-1-ylmethylidene)piperidine
CID 71271273
1-Cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine
CID 71276626
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CID 89205101

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine (CID 143419479) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine is C1=CC(CN2CCC(N3CCCCC3)CC2)=CCC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine?
The InChIKey is RSVHOZXBAFIQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19/h3,7-8,17H,1-2,4-6,9-15H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine has a molecular weight of 260.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 143419479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).