2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol

C20H30N2O — CID 134468924

IUPAC2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCN(CCO)CC1
InChIInChI=1S/C20H30N2O/c1-2-17(14-16-6-4-3-5-7-16)19-15-20(19)21-18-8-10-22(11-9-18)12-13-23/h3-7,14,18-21,23H,2,8-13,15H2,1H3/b17-14+/t19-,20+/m0/s1
InChIKeyWMGGSTWZOXPKQC-KSRMRMEDSA-N
MW314.47 g/mol
LogP2.91
Rot. Bonds7

About 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol

2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol (PubChem CID 134468924) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol
PubChem CID134468924
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCN(CCO)CC1
InChIInChI=1S/C20H30N2O/c1-2-17(14-16-6-4-3-5-7-16)19-15-20(19)21-18-8-10-22(11-9-18)12-13-23/h3-7,14,18-21,23H,2,8-13,15H2,1H3/b17-14+/t19-,20+/m0/s1
InChIKeyWMGGSTWZOXPKQC-KSRMRMEDSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol with MolForge

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Related Compounds

2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclopropyl)amino)-2-azaspiro[3.3]heptan-2-yl)ethanol
CID 134468925
2-[2-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]ethanol
CID 134468943
2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 122640964
2-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol
CID 122649223
2-[[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]ethanol
CID 122650125
Ethanol, 2-(alpha-methylphenethyl)amino-
CID 45446
1-[(2R)-1-[(1-phenylcyclopropyl)methyl]piperazin-2-yl]ethanol
CID 23723051
trans-(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 156015693
N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]piperidin-4-amine
CID 156019377
2-Benzylamino-5-piperidin-1-yl-pent-3-yn-1-ol
CID 646120
2-[[1-(2-Phenylethyl)-4-piperidinyl](propyl)amino]ethanol
CID 4371773
2-(4-Benzylpiperidin-1-yl)propan-1-ol
CID 15104692

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol (CID 134468924) is 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol is CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol?
The InChIKey is WMGGSTWZOXPKQC-KSRMRMEDSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-17(14-16-6-4-3-5-7-16)19-15-20(19)21-18-8-10-22(11-9-18)12-13-23/h3-7,14,18-21,23H,2,8-13,15H2,1H3/b17-14+/t19-,20+/m0/s1.
What are the key properties of 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol?
2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol has a molecular weight of 314.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 134468924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).