(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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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).