1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol

C15H24N2O — CID 114677976

IUPAC1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
SMILESCc1cccc(C(CN)N2CCC(O)C(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-4-3-5-13(8-11)14(9-16)17-7-6-15(18)12(2)10-17/h3-5,8,12,14-15,18H,6-7,9-10,16H2,1-2H3
InChIKeyDBXDUANFEFPERT-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol

1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol (PubChem CID 114677976) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
PubChem CID114677976
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
SMILESCc1cccc(C(CN)N2CCC(O)C(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-4-3-5-13(8-11)14(9-16)17-7-6-15(18)12(2)10-17/h3-5,8,12,14-15,18H,6-7,9-10,16H2,1-2H3
InChIKeyDBXDUANFEFPERT-UHFFFAOYSA-N
XLogP1.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
tert-butyl N-[(3R)-1-[(1S)-2-amino-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 30734721
tert-butyl N-[1-[2-amino-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 44890970
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
2-(2-ethylmorpholin-4-yl)-2-(3-methylphenyl)ethanamine
CID 43562475
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
CID 114678005
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol (CID 114677976) is 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol is Cc1cccc(C(CN)N2CCC(O)C(C)C2)c1.
What is the InChIKey of 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol?
The InChIKey is DBXDUANFEFPERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-4-3-5-13(8-11)14(9-16)17-7-6-15(18)12(2)10-17/h3-5,8,12,14-15,18H,6-7,9-10,16H2,1-2H3.
What are the key properties of 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol?
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol has a molecular weight of 248.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).