2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol

C14H22N2O — CID 117004950

IUPAC2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol
SMILESCc1ccccc1N1CCCC(NCCO)C1
InChIInChI=1S/C14H22N2O/c1-12-5-2-3-7-14(12)16-9-4-6-13(11-16)15-8-10-17/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3
InChIKeyZNKGJYYMKWWNFV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.55
Rot. Bonds4

About 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol

2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol (PubChem CID 117004950) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol
PubChem CID117004950
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol
SMILESCc1ccccc1N1CCCC(NCCO)C1
InChIInChI=1S/C14H22N2O/c1-12-5-2-3-7-14(12)16-9-4-6-13(11-16)15-8-10-17/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3
InChIKeyZNKGJYYMKWWNFV-UHFFFAOYSA-N
XLogP1.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol
CID 117004977
2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol
CID 117004961
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
2-[[(3S)-1-[[4-(cyclopropylmethoxy)-3-methylnaphthalen-1-yl]methyl]piperidin-3-yl]amino]ethanol
CID 178016876
2-[[1-(4-chloro-2-methylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004800
1-(2-chloro-6-methylphenyl)-N-ethylpiperidin-3-amine
CID 66251825
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol?
The IUPAC name of 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol (CID 117004950) is 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol is Cc1ccccc1N1CCCC(NCCO)C1.
What is the InChIKey of 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol?
The InChIKey is ZNKGJYYMKWWNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-5-2-3-7-14(12)16-9-4-6-13(11-16)15-8-10-17/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3.
What are the key properties of 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol?
2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylphenyl)piperidin-3-yl]amino]ethanol is sourced from PubChem (CID 117004950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).