4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine

C15H25N — CID 21303312

IUPAC4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CC2=CCC=CC2)CC1
InChIInChI=1S/C15H25N/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-4,7,13,15H,5-6,8-12H2,1-2H3
InChIKeyBULQNAJWOWIHGD-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds3

About 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine

4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine (PubChem CID 21303312) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine
PubChem CID21303312
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CC2=CCC=CC2)CC1
InChIInChI=1S/C15H25N/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-4,7,13,15H,5-6,8-12H2,1-2H3
InChIKeyBULQNAJWOWIHGD-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine (CID 21303312) is 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine is CC(C)N1CCC(CC2=CCC=CC2)CC1.
What is the InChIKey of 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine?
The InChIKey is BULQNAJWOWIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-4,7,13,15H,5-6,8-12H2,1-2H3.
What are the key properties of 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine?
4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,4-dien-1-ylmethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 21303312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).