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

C22H30N2O2 — CID 3633998

IUPAC1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H30N2O2/c1-18-6-5-9-22(14-18)26-17-21(25)15-23-20-10-12-24(13-11-20)16-19-7-3-2-4-8-19/h2-9,14,20-21,23,25H,10-13,15-17H2,1H3
InChIKeyCXEDIPZLUIGYNA-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.99
Rot. Bonds8

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

1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 3633998) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID3633998
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H30N2O2/c1-18-6-5-9-22(14-18)26-17-21(25)15-23-20-10-12-24(13-11-20)16-19-7-3-2-4-8-19/h2-9,14,20-21,23,25H,10-13,15-17H2,1H3
InChIKeyCXEDIPZLUIGYNA-UHFFFAOYSA-N
XLogP2.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396
1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol
CID 141051697
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 64741127
(2R)-1-[[1-[(2R)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 138517895
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
(2S)-1-(3-methylphenoxy)-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95322946
2-[2-[(2S)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetic acid
CID 16657402
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
(2R)-1-[[1-[(2S)-3-(3-chloro-4-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(4-methylphenoxy)propan-2-ol;(2S)-1-[[1-[(2S)-3-(3-chloro-4-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(4-methylphenoxy)propan-2-ol;(2R)-1-[[1-[(2R)-3-(3-chloro-4-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(4-methylphenoxy)propan-2-ol;(2S)-1-[[1-[(2R)-3-(3-chloro-4-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(4-methylphenoxy)propan-2-ol;(2R)-1-[[1-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(4-methylphenoxy)propan-2-ol;(2S)-1-[[1-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 158244600
2-[(1-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol (CID 3633998) is 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is CXEDIPZLUIGYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18-6-5-9-22(14-18)26-17-21(25)15-23-20-10-12-24(13-11-20)16-19-7-3-2-4-8-19/h2-9,14,20-21,23,25H,10-13,15-17H2,1H3.
What are the key properties of 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol?
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 354.49 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 3633998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).