4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine

C16H21N — CID 15397360

IUPAC4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine
SMILESCN1CCC(C2=CC=CC2)(C2=CC=CC2)CC1
InChIInChI=1S/C16H21N/c1-17-12-10-16(11-13-17,14-6-2-3-7-14)15-8-4-5-9-15/h2-6,8H,7,9-13H2,1H3
InChIKeyAWXNFHIYPTWZBS-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.47
Rot. Bonds2

About 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine

4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine (PubChem CID 15397360) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine
PubChem CID15397360
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine
SMILESCN1CCC(C2=CC=CC2)(C2=CC=CC2)CC1
InChIInChI=1S/C16H21N/c1-17-12-10-16(11-13-17,14-6-2-3-7-14)15-8-4-5-9-15/h2-6,8H,7,9-13H2,1H3
InChIKeyAWXNFHIYPTWZBS-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine?
The IUPAC name of 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine (CID 15397360) is 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine.
What is the SMILES notation for 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine?
The canonical SMILES for 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine is CN1CCC(C2=CC=CC2)(C2=CC=CC2)CC1.
What is the InChIKey of 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine?
The InChIKey is AWXNFHIYPTWZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-17-12-10-16(11-13-17,14-6-2-3-7-14)15-8-4-5-9-15/h2-6,8H,7,9-13H2,1H3.
What are the key properties of 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine?
4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine has a molecular weight of 227.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(cyclopenta-1,3-dien-1-yl)-1-methylpiperidine is sourced from PubChem (CID 15397360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).