(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine

C9H19NO2 — CID 142353927

IUPAC(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1C[C@@H](C)CN(O)C1
InChIInChI=1S/C9H19NO2/c1-7(2)12-9-4-8(3)5-10(11)6-9/h7-9,11H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyAWYJCLNORQDIIS-BDAKNGLRSA-N
MW173.26 g/mol
LogP1.51
Rot. Bonds2

About (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine

(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine (PubChem CID 142353927) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine
PubChem CID142353927
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1C[C@@H](C)CN(O)C1
InChIInChI=1S/C9H19NO2/c1-7(2)12-9-4-8(3)5-10(11)6-9/h7-9,11H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyAWYJCLNORQDIIS-BDAKNGLRSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine 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

cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol
CID 142353909
1-hydroxy-3-methoxy-5-propan-2-ylpiperidine
CID 139505715
N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine
CID 155419732
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)propan-1-one
CID 77445876
(2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine
CID 154605097
1-propan-2-yl-3-propan-2-yloxyazetidine
CID 59470900
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
1-bromo-3-propan-2-yloxycyclobutane
CID 66344883

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine?
The IUPAC name of (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine (CID 142353927) is (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine.
What is the SMILES notation for (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine?
The canonical SMILES for (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine is CC(C)O[C@H]1C[C@@H](C)CN(O)C1.
What is the InChIKey of (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine?
The InChIKey is AWYJCLNORQDIIS-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)12-9-4-8(3)5-10(11)6-9/h7-9,11H,4-6H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine?
(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine has a molecular weight of 173.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine is sourced from PubChem (CID 142353927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).