(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine

C7H14ClNO — CID 118569724

IUPAC(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine
SMILESCO[C@@H]1CCN(Cl)[C@H](C)C1
InChIInChI=1S/C7H14ClNO/c1-6-5-7(10-2)3-4-9(6)8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyCWSRPIPZBQKLFZ-RNFRBKRXSA-N
MW163.65 g/mol
LogP1.64
Rot. Bonds1

About (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine

(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine (PubChem CID 118569724) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine.

Molecular Properties

Compound Name(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine
PubChem CID118569724
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine
SMILESCO[C@@H]1CCN(Cl)[C@H](C)C1
InChIInChI=1S/C7H14ClNO/c1-6-5-7(10-2)3-4-9(6)8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyCWSRPIPZBQKLFZ-RNFRBKRXSA-N
XLogP1.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine 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

ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
CID 164564582
[2-(4-methoxy-2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 114220788
4-methoxy-1,2,6-trimethylpiperidine
CID 59421649
1-(azetidin-3-ylmethyl)-4-methoxy-2-methylpiperidine
CID 130485895
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine
CID 124872866
4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 114221418
N-[2-(4-methoxy-2-methylpiperidin-1-yl)ethyl]cyclopentanamine
CID 114221239
4-chloro-2-cyclopropyl-6-[(2R,4S)-4-methoxy-2-methylpiperidin-1-yl]pyrimidine
CID 124850877
[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine
CID 114221232
1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 114221624
4-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)-4-methylpentan-3-one
CID 114229025

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine?
The IUPAC name of (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine (CID 118569724) is (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine.
What is the SMILES notation for (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine?
The canonical SMILES for (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine is CO[C@@H]1CCN(Cl)[C@H](C)C1.
What is the InChIKey of (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine?
The InChIKey is CWSRPIPZBQKLFZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-6-5-7(10-2)3-4-9(6)8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine?
(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine has a molecular weight of 163.65 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-chloro-4-methoxy-2-methylpiperidine is sourced from PubChem (CID 118569724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).