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

C23H30N2O2 — CID 129279650

IUPAC(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
SMILESO[C@H](COc1ccccc1)CN1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c26-20(17-27-21-9-5-2-6-10-21)16-25-13-11-19(12-14-25)24-23-15-22(23)18-7-3-1-4-8-18/h1-10,19-20,22-24,26H,11-17H2/t20-,22+,23-/m0/s1
InChIKeyDWQDTYFREPNKJV-WWNPGLIZSA-N
MW366.51 g/mol
LogP3.04
Rot. Bonds8

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

(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol (PubChem CID 129279650) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
PubChem CID129279650
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
SMILESO[C@H](COc1ccccc1)CN1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c26-20(17-27-21-9-5-2-6-10-21)16-25-13-11-19(12-14-25)24-23-15-22(23)18-7-3-1-4-8-18/h1-10,19-20,22-24,26H,11-17H2/t20-,22+,23-/m0/s1
InChIKeyDWQDTYFREPNKJV-WWNPGLIZSA-N
XLogP3.04
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 70076254
1-[1-(4-bromophenoxy)butan-2-yl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 175179470
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
1-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129280571
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
N-cyclopropyl-2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-oxoacetamide
CID 47039869

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol (CID 129279650) is (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol is O[C@H](COc1ccccc1)CN1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol?
The InChIKey is DWQDTYFREPNKJV-WWNPGLIZSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-20(17-27-21-9-5-2-6-10-21)16-25-13-11-19(12-14-25)24-23-15-22(23)18-7-3-1-4-8-18/h1-10,19-20,22-24,26H,11-17H2/t20-,22+,23-/m0/s1.
What are the key properties of (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol?
(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol has a molecular weight of 366.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 129279650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).