1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol

C24H32N2O2 — CID 45246484

IUPAC1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COc1ccccc1CNC1(c2ccccc2)CC1)CN1CCCCC1
InChIInChI=1S/C24H32N2O2/c27-22(18-26-15-7-2-8-16-26)19-28-23-12-6-5-9-20(23)17-25-24(13-14-24)21-10-3-1-4-11-21/h1,3-6,9-12,22,25,27H,2,7-8,13-19H2
InChIKeyCJRDYXMBFCSULT-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.69
Rot. Bonds9

About 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol

1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 45246484) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID45246484
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COc1ccccc1CNC1(c2ccccc2)CC1)CN1CCCCC1
InChIInChI=1S/C24H32N2O2/c27-22(18-26-15-7-2-8-16-26)19-28-23-12-6-5-9-20(23)17-25-24(13-14-24)21-10-3-1-4-11-21/h1,3-6,9-12,22,25,27H,2,7-8,13-19H2
InChIKeyCJRDYXMBFCSULT-UHFFFAOYSA-N
XLogP3.69
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(piperidin-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280232
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(2R)-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 97274933
(2R)-1-[2-[[benzyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 25377026
(2S)-1-[2-[(2-pyrrolidin-1-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 51634139
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-[4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 97285514
1-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperidine-4-carbonitrile
CID 97272514
3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperazin-1-yl]propanamide
CID 29218545
1-[[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]piperidine-4-carbonitrile
CID 97272513

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 45246484) is 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol is OC(COc1ccccc1CNC1(c2ccccc2)CC1)CN1CCCCC1.
What is the InChIKey of 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is CJRDYXMBFCSULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-22(18-26-15-7-2-8-16-26)19-28-23-12-6-5-9-20(23)17-25-24(13-14-24)21-10-3-1-4-11-21/h1,3-6,9-12,22,25,27H,2,7-8,13-19H2.
What are the key properties of 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 380.53 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1-phenylcyclopropyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 45246484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).