4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine

C17H25N — CID 138530385

IUPAC4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine
SMILESC=CCc1cc(C(C)C)ccc1C1CCNCC1
InChIInChI=1S/C17H25N/c1-4-5-16-12-15(13(2)3)6-7-17(16)14-8-10-18-11-9-14/h4,6-7,12-14,18H,1,5,8-11H2,2-3H3
InChIKeyDQAWTIDDRLNBRK-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.01
Rot. Bonds4

About 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine

4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine (PubChem CID 138530385) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine.

Molecular Properties

Compound Name4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine
PubChem CID138530385
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine
SMILESC=CCc1cc(C(C)C)ccc1C1CCNCC1
InChIInChI=1S/C17H25N/c1-4-5-16-12-15(13(2)3)6-7-17(16)14-8-10-18-11-9-14/h4,6-7,12-14,18H,1,5,8-11H2,2-3H3
InChIKeyDQAWTIDDRLNBRK-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-2-prop-2-enylphenyl)piperidine
CID 155201541
1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone
CID 138530758
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117
3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117296630
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
3-(methoxymethyl)-4-piperidin-4-ylaniline
CID 166120409
N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline
CID 117116687
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
2-methyl-3-piperidin-4-yl-6-propan-2-ylpyridine
CID 139410159
N,N-dimethyl-1-(5-methyl-2-piperidin-4-ylphenyl)methanamine;ethane
CID 166120310
2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
CID 18365254
4-(5-ethyl-2-propan-2-ylphenyl)piperidine
CID 117335152

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine?
The IUPAC name of 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine (CID 138530385) is 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine.
What is the SMILES notation for 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine?
The canonical SMILES for 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine is C=CCc1cc(C(C)C)ccc1C1CCNCC1.
What is the InChIKey of 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine?
The InChIKey is DQAWTIDDRLNBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-5-16-12-15(13(2)3)6-7-17(16)14-8-10-18-11-9-14/h4,6-7,12-14,18H,1,5,8-11H2,2-3H3.
What are the key properties of 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine?
4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine has a molecular weight of 243.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yl-2-prop-2-enylphenyl)piperidine is sourced from PubChem (CID 138530385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).