(2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol

C24H42N2O4 — CID 26392566

IUPAC(2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
SMILESCOCCCC1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c2)CC1
InChIInChI=1S/C24H42N2O4/c1-19(2)25(3)17-22(27)18-30-24-15-21(8-9-23(24)29-5)16-26-12-10-20(11-13-26)7-6-14-28-4/h8-9,15,19-20,22,27H,6-7,10-14,16-18H2,1-5H3/t22-/m0/s1
InChIKeyGKFKRIVXKUPEPM-QFIPXVFZSA-N
MW422.61 g/mol
LogP3.41
Rot. Bonds13

About (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol

(2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol (PubChem CID 26392566) has the molecular formula C24H42N2O4 and a molecular weight of 422.61 g/mol. Its IUPAC name is (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
PubChem CID26392566
Molecular FormulaC24H42N2O4
Molecular Weight422.61 g/mol
Exact Mass422.31
IUPAC Name(2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
SMILESCOCCCC1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c2)CC1
InChIInChI=1S/C24H42N2O4/c1-19(2)25(3)17-22(27)18-30-24-15-21(8-9-23(24)29-5)16-26-12-10-20(11-13-26)7-6-14-28-4/h8-9,15,19-20,22,27H,6-7,10-14,16-18H2,1-5H3/t22-/m0/s1
InChIKeyGKFKRIVXKUPEPM-QFIPXVFZSA-N
XLogP3.41
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol 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

(2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97273502
(2S)-1-[4-[(4,4-difluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97272583
1-[4-[[4-(hydroxymethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 72941374
(2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 28953775
4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
CID 97268549
(2R)-1-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 97277129
(2S)-1-(diethylamino)-3-[2-methoxy-5-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 42376551
1-(diethylamino)-3-[2-methoxy-5-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45240353
(2R)-1-[4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97275346
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97279782
1-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperidine-4-carbonitrile
CID 97276288
1-(azocan-1-yl)-3-[4-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45203017

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol (CID 26392566) is (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol is COCCCC1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c2)CC1.
What is the InChIKey of (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is GKFKRIVXKUPEPM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H42N2O4/c1-19(2)25(3)17-22(27)18-30-24-15-21(8-9-23(24)29-5)16-26-12-10-20(11-13-26)7-6-14-28-4/h8-9,15,19-20,22,27H,6-7,10-14,16-18H2,1-5H3/t22-/m0/s1.
What are the key properties of (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?
(2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 422.61 g/mol, XLogP of 3.41, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methoxy-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 26392566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).