4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine

C15H25N — CID 71026734

IUPAC4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine
SMILESCC1=CC=C(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H25N/c1-12(2)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4,6,12,15H,5,7-11H2,1-3H3
InChIKeyBHIPCFSJPJZRAD-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds2

About 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine

4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine (PubChem CID 71026734) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine
PubChem CID71026734
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine
SMILESCC1=CC=C(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H25N/c1-12(2)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4,6,12,15H,5,7-11H2,1-3H3
InChIKeyBHIPCFSJPJZRAD-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine (CID 71026734) is 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine is CC1=CC=C(C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine?
The InChIKey is BHIPCFSJPJZRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12(2)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4,6,12,15H,5,7-11H2,1-3H3.
What are the key properties of 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine?
4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexa-1,3-dien-1-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 71026734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).