(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine

C10H21N — CID 147690479

IUPAC(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CC[C@H](C)[C@H](C)C1
InChIInChI=1S/C10H21N/c1-8(2)11-6-5-9(3)10(4)7-11/h8-10H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyGQWMCKRTZHDOTH-VHSXEESVSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds1

About (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine

(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine (PubChem CID 147690479) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
PubChem CID147690479
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CC[C@H](C)[C@H](C)C1
InChIInChI=1S/C10H21N/c1-8(2)11-6-5-9(3)10(4)7-11/h8-10H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyGQWMCKRTZHDOTH-VHSXEESVSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 170616755
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176763978
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
6-(3-methyl-1-propan-2-ylpiperidin-4-yl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 177247626

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine?
The IUPAC name of (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine (CID 147690479) is (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine.
What is the SMILES notation for (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine?
The canonical SMILES for (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine is CC(C)N1CC[C@H](C)[C@H](C)C1.
What is the InChIKey of (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine?
The InChIKey is GQWMCKRTZHDOTH-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)11-6-5-9(3)10(4)7-11/h8-10H,5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine?
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine has a molecular weight of 155.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 147690479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).