1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol

C17H27ClN2O — CID 102966955

IUPAC1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
SMILESCCNC(CCN1CCC(C)C(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-3-19-16(14-4-6-15(18)7-5-14)9-11-20-10-8-13(2)17(21)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3
InChIKeyDWPJWYYCAVMRRJ-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.08
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol

1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol (PubChem CID 102966955) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
PubChem CID102966955
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
SMILESCCNC(CCN1CCC(C)C(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-3-19-16(14-4-6-15(18)7-5-14)9-11-20-10-8-13(2)17(21)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3
InChIKeyDWPJWYYCAVMRRJ-UHFFFAOYSA-N
XLogP3.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol
CID 114800071
1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966991
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol (CID 102966955) is 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol is CCNC(CCN1CCC(C)C(O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol?
The InChIKey is DWPJWYYCAVMRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-19-16(14-4-6-15(18)7-5-14)9-11-20-10-8-13(2)17(21)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol?
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol has a molecular weight of 310.87 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102966955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).