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-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565
1-[(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110021873
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110896900
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 167863025
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 62996690

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).