[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol

C18H30N2O — CID 62630396

IUPAC[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
SMILESCCNC(CCN1CCC(CO)CC1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-3-19-18(17-7-5-4-6-15(17)2)10-13-20-11-8-16(14-21)9-12-20/h4-7,16,18-19,21H,3,8-14H2,1-2H3
InChIKeySLDOAKLBIBSYKC-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.74
Rot. Bonds7

About [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol

[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol (PubChem CID 62630396) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
PubChem CID62630396
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
SMILESCCNC(CCN1CCC(CO)CC1)c1ccccc1C
InChIInChI=1S/C18H30N2O/c1-3-19-18(17-7-5-4-6-15(17)2)10-13-20-11-8-16(14-21)9-12-20/h4-7,16,18-19,21H,3,8-14H2,1-2H3
InChIKeySLDOAKLBIBSYKC-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
3-(4-ethoxypiperidin-1-yl)-N-methyl-1-(2-methylphenyl)propan-1-amine
CID 62630611
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63218029
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973

Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol (CID 62630396) is [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol is CCNC(CCN1CCC(CO)CC1)c1ccccc1C.
What is the InChIKey of [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol?
The InChIKey is SLDOAKLBIBSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-19-18(17-7-5-4-6-15(17)2)10-13-20-11-8-16(14-21)9-12-20/h4-7,16,18-19,21H,3,8-14H2,1-2H3.
What are the key properties of [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol?
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol has a molecular weight of 290.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol is sourced from PubChem (CID 62630396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).