1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol

C27H33N3O — CID 3072697

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
SMILESOC(CNCc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H33N3O/c31-26(21-28-20-23-10-4-1-5-11-23)22-29-16-18-30(19-17-29)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28,31H,16-22H2
InChIKeyRXACHOWXVJKTIH-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.54
Rot. Bonds9

About 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol (PubChem CID 3072697) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
PubChem CID3072697
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
SMILESOC(CNCc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H33N3O/c31-26(21-28-20-23-10-4-1-5-11-23)22-29-16-18-30(19-17-29)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28,31H,16-22H2
InChIKeyRXACHOWXVJKTIH-UHFFFAOYSA-N
XLogP3.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 167011971
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
1-(4-benzhydrylpiperazin-1-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol
CID 3072700
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 6975605
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
1-(4-benzhydrylpiperazin-1-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol
CID 139685685
4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172
2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
CID 58465527
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-ol
CID 2328997

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol (CID 3072697) is 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol is OC(CNCc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol?
The InChIKey is RXACHOWXVJKTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c31-26(21-28-20-23-10-4-1-5-11-23)22-29-16-18-30(19-17-29)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28,31H,16-22H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol has a molecular weight of 415.58 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol is sourced from PubChem (CID 3072697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).