(4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine

C19H38N2O2 — CID 155077262

IUPAC(4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine
SMILESCOCCCN1CC[C@H](C)CC1C1C[C@H](C)CCN1CCOC
InChIInChI=1S/C19H38N2O2/c1-16-6-9-20(8-5-12-22-3)18(14-16)19-15-17(2)7-10-21(19)11-13-23-4/h16-19H,5-15H2,1-4H3/t16-,17+,18?,19?/m0/s1
InChIKeySMQUZPCEUSRCRM-FKAKGIQBSA-N
MW326.53 g/mol
LogP2.87
Rot. Bonds8

About (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine

(4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine (PubChem CID 155077262) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine.

Molecular Properties

Compound Name(4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine
PubChem CID155077262
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name(4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine
SMILESCOCCCN1CC[C@H](C)CC1C1C[C@H](C)CCN1CCOC
InChIInChI=1S/C19H38N2O2/c1-16-6-9-20(8-5-12-22-3)18(14-16)19-15-17(2)7-10-21(19)11-13-23-4/h16-19H,5-15H2,1-4H3/t16-,17+,18?,19?/m0/s1
InChIKeySMQUZPCEUSRCRM-FKAKGIQBSA-N
XLogP2.87
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine?
The IUPAC name of (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine (CID 155077262) is (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine.
What is the SMILES notation for (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine?
The canonical SMILES for (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine is COCCCN1CC[C@H](C)CC1C1C[C@H](C)CCN1CCOC.
What is the InChIKey of (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine?
The InChIKey is SMQUZPCEUSRCRM-FKAKGIQBSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-16-6-9-20(8-5-12-22-3)18(14-16)19-15-17(2)7-10-21(19)11-13-23-4/h16-19H,5-15H2,1-4H3/t16-,17+,18?,19?/m0/s1.
What are the key properties of (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine?
(4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine has a molecular weight of 326.53 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyethyl)-2-[(4S)-1-(3-methoxypropyl)-4-methylpiperidin-2-yl]-4-methylpiperidine is sourced from PubChem (CID 155077262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).