(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine

C13H27N — CID 134236161

IUPAC(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
SMILESCC(C)C[C@@H]1C[C@@H](C(C)C)CN(C)C1
InChIInChI=1S/C13H27N/c1-10(2)6-12-7-13(11(3)4)9-14(5)8-12/h10-13H,6-9H2,1-5H3/t12-,13-/m1/s1
InChIKeyCWYLDPWAJNXETD-CHWSQXEVSA-N
MW197.37 g/mol
LogP3.26
Rot. Bonds3

About (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine

(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine (PubChem CID 134236161) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
PubChem CID134236161
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
SMILESCC(C)C[C@@H]1C[C@@H](C(C)C)CN(C)C1
InChIInChI=1S/C13H27N/c1-10(2)6-12-7-13(11(3)4)9-14(5)8-12/h10-13H,6-9H2,1-5H3/t12-,13-/m1/s1
InChIKeyCWYLDPWAJNXETD-CHWSQXEVSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,5R)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236222
(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
(3aS,6aR)-2-methyl-5-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 118457215
1-methyl-3,4-bis(2-methylpropyl)pyrrolidine
CID 146418320
(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol
CID 6581896
methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol
CID 167675393
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
N-(2,2-dimethylpropyl)-1-methyl-5-propan-2-ylpiperidin-3-amine
CID 83994824
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
1-methyl-4-(2-methylpropyl)azepane
CID 123252209
1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83988971

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine?
The IUPAC name of (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine (CID 134236161) is (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine.
What is the SMILES notation for (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine?
The canonical SMILES for (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine is CC(C)C[C@@H]1C[C@@H](C(C)C)CN(C)C1.
What is the InChIKey of (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine?
The InChIKey is CWYLDPWAJNXETD-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)6-12-7-13(11(3)4)9-14(5)8-12/h10-13H,6-9H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine?
(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine is sourced from PubChem (CID 134236161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).