1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol

C17H27ClN2O — CID 114682044

IUPAC1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
SMILESCCNC(CCN1CCC(O)C(C)C1)c1ccccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-3-19-16(14-6-4-5-7-15(14)18)8-10-20-11-9-17(21)13(2)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3
InChIKeyNBXTXELESGSUEY-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.08
Rot. Bonds6

About 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol

1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol (PubChem CID 114682044) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
PubChem CID114682044
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
SMILESCCNC(CCN1CCC(O)C(C)C1)c1ccccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-3-19-16(14-6-4-5-7-15(14)18)8-10-20-11-9-17(21)13(2)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3
InChIKeyNBXTXELESGSUEY-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-(2-chlorophenyl)-N-ethyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62643356
1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966991
1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
CID 83220497
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635128
1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635659
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
CID 114681980
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol (CID 114682044) is 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol is CCNC(CCN1CCC(O)C(C)C1)c1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol?
The InChIKey is NBXTXELESGSUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-19-16(14-6-4-5-7-15(14)18)8-10-20-11-9-17(21)13(2)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3.
What are the key properties of 1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol?
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-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-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114682044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).