1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol

C23H38N2O2 — CID 45200049

IUPAC1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
SMILESCC1CCN(Cc2ccccc2OCC(O)CN(C)C2CCCCC2)CC1
InChIInChI=1S/C23H38N2O2/c1-19-12-14-25(15-13-19)16-20-8-6-7-11-23(20)27-18-22(26)17-24(2)21-9-4-3-5-10-21/h6-8,11,19,21-22,26H,3-5,9-10,12-18H2,1-2H3
InChIKeyJZGFGVRRPFBGEQ-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.92
Rot. Bonds8

About 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol (PubChem CID 45200049) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
PubChem CID45200049
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
SMILESCC1CCN(Cc2ccccc2OCC(O)CN(C)C2CCCCC2)CC1
InChIInChI=1S/C23H38N2O2/c1-19-12-14-25(15-13-19)16-20-8-6-7-11-23(20)27-18-22(26)17-24(2)21-9-4-3-5-10-21/h6-8,11,19,21-22,26H,3-5,9-10,12-18H2,1-2H3
InChIKeyJZGFGVRRPFBGEQ-UHFFFAOYSA-N
XLogP3.92
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 97284771
1-[cyclohexyl(methyl)amino]-3-[2-[(2-piperidin-1-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45169097
(2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol
CID 97268153
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97279782
1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45210215
4-[[[2-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methylamino]methyl]hepta-1,6-dien-4-ol
CID 42355676
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211468
1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-[[prop-2-enyl(prop-2-ynyl)amino]methyl]phenoxy]propan-2-ol
CID 42362650
1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45196691

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol (CID 45200049) is 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol is CC1CCN(Cc2ccccc2OCC(O)CN(C)C2CCCCC2)CC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol?
The InChIKey is JZGFGVRRPFBGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-19-12-14-25(15-13-19)16-20-8-6-7-11-23(20)27-18-22(26)17-24(2)21-9-4-3-5-10-21/h6-8,11,19,21-22,26H,3-5,9-10,12-18H2,1-2H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol has a molecular weight of 374.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45200049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).