1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol

C17H28N2O — CID 63847704

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
SMILESCCNCC1CCN(CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-18-13-15-9-11-19(12-10-15)14-17(2,20)16-7-5-4-6-8-16/h4-8,15,18,20H,3,9-14H2,1-2H3
InChIKeyZWOFBMLIXHUWCS-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.22
Rot. Bonds6

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol (PubChem CID 63847704) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
PubChem CID63847704
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
SMILESCCNCC1CCN(CC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-18-13-15-9-11-19(12-10-15)14-17(2,20)16-7-5-4-6-8-16/h4-8,15,18,20H,3,9-14H2,1-2H3
InChIKeyZWOFBMLIXHUWCS-UHFFFAOYSA-N
XLogP2.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
N-[[1-(phenylmethoxymethyl)piperidin-4-yl]methyl]ethanamine
CID 102940753
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-phenylpropyl]piperidin-4-yl]acetamide
CID 129489619
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline
CID 146228787
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-difluoro-2-phenylethanamine
CID 116788979
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
2-[1-(2-hydroxy-2-phenylpropyl)azetidin-3-yl]acetic acid
CID 64617912

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol (CID 63847704) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol is CCNCC1CCN(CC(C)(O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol?
The InChIKey is ZWOFBMLIXHUWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-13-15-9-11-19(12-10-15)14-17(2,20)16-7-5-4-6-8-16/h4-8,15,18,20H,3,9-14H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 63847704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).