1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol

C18H30N2O — CID 63854628

IUPAC1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol
SMILESCCNC(C)C1CCCN(CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C18H30N2O/c1-4-19-15(2)16-9-8-12-20(13-16)14-18(3,21)17-10-6-5-7-11-17/h5-7,10-11,15-16,19,21H,4,8-9,12-14H2,1-3H3
InChIKeyHJNFQBNHSPWPJY-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.60
Rot. Bonds6

About 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol

1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol (PubChem CID 63854628) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol
PubChem CID63854628
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol
SMILESCCNC(C)C1CCCN(CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C18H30N2O/c1-4-19-15(2)16-9-8-12-20(13-16)14-18(3,21)17-10-6-5-7-11-17/h5-7,10-11,15-16,19,21H,4,8-9,12-14H2,1-3H3
InChIKeyHJNFQBNHSPWPJY-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258
1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942
methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-phenylpropyl]piperidin-4-yl]acetamide
CID 129489619
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol (CID 63854628) is 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol is CCNC(C)C1CCCN(CC(C)(O)c2ccccc2)C1.
What is the InChIKey of 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol?
The InChIKey is HJNFQBNHSPWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-15(2)16-9-8-12-20(13-16)14-18(3,21)17-10-6-5-7-11-17/h5-7,10-11,15-16,19,21H,4,8-9,12-14H2,1-3H3.
What are the key properties of 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol?
1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 63854628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).