1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol

C19H31N3O — CID 110885328

IUPAC1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNC1CCN(Cc2ccccc2)CC1)CN1CCCC1
InChIInChI=1S/C19H31N3O/c23-19(16-21-10-4-5-11-21)14-20-18-8-12-22(13-9-18)15-17-6-2-1-3-7-17/h1-3,6-7,18-20,23H,4-5,8-16H2
InChIKeyKTKFYXIAGKTZPX-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.70
Rot. Bonds7

About 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 110885328) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID110885328
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(CNC1CCN(Cc2ccccc2)CC1)CN1CCCC1
InChIInChI=1S/C19H31N3O/c23-19(16-21-10-4-5-11-21)14-20-18-8-12-22(13-9-18)15-17-6-2-1-3-7-17/h1-3,6-7,18-20,23H,4-5,8-16H2
InChIKeyKTKFYXIAGKTZPX-UHFFFAOYSA-N
XLogP1.70
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol
CID 134468924
1,3-Bis(((3-(aminomethyl)phenyl)methyl)amino)propan-2-ol
CID 3021167
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
N-Benzyl-L-alaninol
CID 5356540
1-(Benzylamino)propan-2-ol
CID 97731
(2S)-2-(benzylamino)butan-1-ol
CID 927305
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650
1-[4-[[[3-(Trifluoromethyl)phenyl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53555332
2-[4-[[1-[4-(Trifluoromethyl)phenyl]ethylamino]methyl]piperidin-1-yl]ethanol
CID 53571972

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 110885328) is 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol is OC(CNC1CCN(Cc2ccccc2)CC1)CN1CCCC1.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is KTKFYXIAGKTZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c23-19(16-21-10-4-5-11-21)14-20-18-8-12-22(13-9-18)15-17-6-2-1-3-7-17/h1-3,6-7,18-20,23H,4-5,8-16H2.
What are the key properties of 1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 317.48 g/mol, XLogP of 1.70, 7 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-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 110885328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).