N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

C17H28N2 — CID 81360507

IUPACN-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCc1cccc([C@H](C)NC(C)C2CCCN(C)C2)c1
InChIInChI=1S/C17H28N2/c1-13-7-5-8-16(11-13)14(2)18-15(3)17-9-6-10-19(4)12-17/h5,7-8,11,14-15,17-18H,6,9-10,12H2,1-4H3/t14-,15?,17?/m0/s1
InChIKeyKFBIGZNYQYRCHH-UQPPLGOBSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds4

About N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 81360507) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID81360507
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCc1cccc([C@H](C)NC(C)C2CCCN(C)C2)c1
InChIInChI=1S/C17H28N2/c1-13-7-5-8-16(11-13)14(2)18-15(3)17-9-6-10-19(4)12-17/h5,7-8,11,14-15,17-18H,6,9-10,12H2,1-4H3/t14-,15?,17?/m0/s1
InChIKeyKFBIGZNYQYRCHH-UQPPLGOBSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43692476
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 81360507) is N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is Cc1cccc([C@H](C)NC(C)C2CCCN(C)C2)c1.
What is the InChIKey of N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is KFBIGZNYQYRCHH-UQPPLGOBSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-7-5-8-16(11-13)14(2)18-15(3)17-9-6-10-19(4)12-17/h5,7-8,11,14-15,17-18H,6,9-10,12H2,1-4H3/t14-,15?,17?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 81360507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).