(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine

C16H25N — CID 164952945

IUPAC(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(N2C[C@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C16H25N/c1-12(2)15-5-7-16(8-6-15)17-10-13(3)9-14(4)11-17/h5-8,12-14H,9-11H2,1-4H3/t13-,14+
InChIKeyHUJZVCBSHKPUCG-OKILXGFUSA-N
MW231.38 g/mol
LogP4.29
Rot. Bonds2

About (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine

(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine (PubChem CID 164952945) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
PubChem CID164952945
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(N2C[C@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C16H25N/c1-12(2)15-5-7-16(8-6-15)17-10-13(3)9-14(4)11-17/h5-8,12-14H,9-11H2,1-4H3/t13-,14+
InChIKeyHUJZVCBSHKPUCG-OKILXGFUSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanol
CID 78939318
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
1-(4-propan-2-ylphenyl)azetidin-3-amine
CID 117002806
3-fluoro-1-(4-propan-2-ylphenyl)azetidine
CID 155453609
1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065989
2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121262109
3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 170442503
(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
CID 59545269
4-(3,5-dimethylpiperidin-1-yl)benzaldehyde
CID 43200250
3-butyl-1-(4-propan-2-ylphenyl)azetidine
CID 178164726
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine
CID 121262106

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine (CID 164952945) is (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine is CC(C)c1ccc(N2C[C@H](C)C[C@H](C)C2)cc1.
What is the InChIKey of (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine?
The InChIKey is HUJZVCBSHKPUCG-OKILXGFUSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)15-5-7-16(8-6-15)17-10-13(3)9-14(4)11-17/h5-8,12-14H,9-11H2,1-4H3/t13-,14+.
What are the key properties of (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine?
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 164952945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).