1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine

C17H27N — CID 118284645

IUPAC1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2CCCN(C(C)C)C2)cc1
InChIInChI=1S/C17H27N/c1-13(2)15-7-9-16(10-8-15)17-6-5-11-18(12-17)14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyRWQJSJGEYVCXCD-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.40
Rot. Bonds3

About 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine

1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine (PubChem CID 118284645) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
PubChem CID118284645
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2CCCN(C(C)C)C2)cc1
InChIInChI=1S/C17H27N/c1-13(2)15-7-9-16(10-8-15)17-6-5-11-18(12-17)14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyRWQJSJGEYVCXCD-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-propan-2-ylpiperidin-3-yl)benzene-1,2-diol;hydrobromide
CID 3046379
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CID 118284741
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione
CID 166117144
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
2-bromo-6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyridine
CID 95804433
3-naphthalen-2-yl-1-propan-2-ylpyrrolidine
CID 70971657
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
1-[3-(4-methylphenyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 141148896
1-bromo-3-(4-propan-2-ylphenyl)cycloheptane
CID 64506515
1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 130267989

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine (CID 118284645) is 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine is CC(C)c1ccc(C2CCCN(C(C)C)C2)cc1.
What is the InChIKey of 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine?
The InChIKey is RWQJSJGEYVCXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)15-7-9-16(10-8-15)17-6-5-11-18(12-17)14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine?
1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 118284645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).