1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol

C23H31N3O — CID 129279606

IUPAC1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
SMILESOC(CNc1ccccc1)CN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c27-21(16-24-19-9-5-2-6-10-19)17-26-13-11-20(12-14-26)25-23-15-22(23)18-7-3-1-4-8-18/h1-10,20-25,27H,11-17H2/t21?,22-,23+/m0/s1
InChIKeyGFYNGYAEQNESGD-ATTQYFOMSA-N
MW365.52 g/mol
LogP3.07
Rot. Bonds8

About 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol

1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol (PubChem CID 129279606) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
PubChem CID129279606
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
SMILESOC(CNc1ccccc1)CN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c27-21(16-24-19-9-5-2-6-10-19)17-26-13-11-20(12-14-26)25-23-15-22(23)18-7-3-1-4-8-18/h1-10,20-25,27H,11-17H2/t21?,22-,23+/m0/s1
InChIKeyGFYNGYAEQNESGD-ATTQYFOMSA-N
XLogP3.07
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylamino)methyl)-
CID 3072701
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897270
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
(R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574739
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((methylphenylamino)methyl)-
CID 3072750
2-[4-(4-Amino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925820
2-[4-(4-Dimethylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925824
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol (CID 129279606) is 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol is OC(CNc1ccccc1)CN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol?
The InChIKey is GFYNGYAEQNESGD-ATTQYFOMSA-N. The full InChI is InChI=1S/C23H31N3O/c27-21(16-24-19-9-5-2-6-10-19)17-26-13-11-20(12-14-26)25-23-15-22(23)18-7-3-1-4-8-18/h1-10,20-25,27H,11-17H2/t21?,22-,23+/m0/s1.
What are the key properties of 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol?
1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol has a molecular weight of 365.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 129279606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).