2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol

C16H26N2O — CID 83982378

IUPAC2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol
SMILESCc1ccc(CN2CCCCC2C(N)CO)cc1C
InChIInChI=1S/C16H26N2O/c1-12-6-7-14(9-13(12)2)10-18-8-4-3-5-16(18)15(17)11-19/h6-7,9,15-16,19H,3-5,8,10-11,17H2,1-2H3
InChIKeyVUQNQZHHAORFNT-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol

2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol (PubChem CID 83982378) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol
PubChem CID83982378
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol
SMILESCc1ccc(CN2CCCCC2C(N)CO)cc1C
InChIInChI=1S/C16H26N2O/c1-12-6-7-14(9-13(12)2)10-18-8-4-3-5-16(18)15(17)11-19/h6-7,9,15-16,19H,3-5,8,10-11,17H2,1-2H3
InChIKeyVUQNQZHHAORFNT-UHFFFAOYSA-N
XLogP1.98
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1-benzylpiperidin-2-yl)ethanol
CID 83982295
N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63854876
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
1-[1-[(3,4-dimethylphenyl)methyl]azepan-2-yl]propan-2-one
CID 79560534
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-2-(methylamino)propanoic acid
CID 83982404
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 174724026
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
1-[1-[(3,4-dimethylphenyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79546159
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol (CID 83982378) is 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol is Cc1ccc(CN2CCCCC2C(N)CO)cc1C.
What is the InChIKey of 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is VUQNQZHHAORFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-7-14(9-13(12)2)10-18-8-4-3-5-16(18)15(17)11-19/h6-7,9,15-16,19H,3-5,8,10-11,17H2,1-2H3.
What are the key properties of 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol?
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 83982378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).