1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol

C23H32N2O3 — CID 4969396

IUPAC1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
SMILESCCOc1ccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-2-27-22-8-10-23(11-9-22)28-18-21(26)16-24-20-12-14-25(15-13-20)17-19-6-4-3-5-7-19/h3-11,20-21,24,26H,2,12-18H2,1H3
InChIKeyFFZPOJBEZXPEIS-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.08
Rot. Bonds10

About 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol

1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol (PubChem CID 4969396) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
PubChem CID4969396
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
SMILESCCOc1ccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-2-27-22-8-10-23(11-9-22)28-18-21(26)16-24-20-12-14-25(15-13-20)17-19-6-4-3-5-7-19/h3-11,20-21,24,26H,2,12-18H2,1H3
InChIKeyFFZPOJBEZXPEIS-UHFFFAOYSA-N
XLogP3.08
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol
CID 141051697
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
(2S)-2-[4-[3-[(1-benzylpiperidin-4-yl)amino]-2-hydroxypropoxy]phenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 171345974
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
2-[(1-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099
1-(1-benzylpiperidin-4-yl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890906
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 166238807

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol (CID 4969396) is 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol is CCOc1ccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol?
The InChIKey is FFZPOJBEZXPEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-2-27-22-8-10-23(11-9-22)28-18-21(26)16-24-20-12-14-25(15-13-20)17-19-6-4-3-5-7-19/h3-11,20-21,24,26H,2,12-18H2,1H3.
What are the key properties of 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol?
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 4969396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).