2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine

C18H30N2 — CID 43106407

IUPAC2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(N)CN2CCCCC2C)cc1
InChIInChI=1S/C18H30N2/c1-14(2)12-16-7-9-17(10-8-16)18(19)13-20-11-5-4-6-15(20)3/h7-10,14-15,18H,4-6,11-13,19H2,1-3H3
InChIKeyANKJWRHUQNZPPT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.76
Rot. Bonds5

About 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine

2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 43106407) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID43106407
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(N)CN2CCCCC2C)cc1
InChIInChI=1S/C18H30N2/c1-14(2)12-16-7-9-17(10-8-16)18(19)13-20-11-5-4-6-15(20)3/h7-10,14-15,18H,4-6,11-13,19H2,1-3H3
InChIKeyANKJWRHUQNZPPT-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16793434
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
1-(4-propylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052836
2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64625982
N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63631762
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
1-[2-(4-tert-butylphenyl)-2-chloroethyl]-2-methylpiperidine
CID 82214703
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine
CID 43542037
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
1-(2,4-dimethylphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882552

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 43106407) is 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(N)CN2CCCCC2C)cc1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is ANKJWRHUQNZPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)12-16-7-9-17(10-8-16)18(19)13-20-11-5-4-6-15(20)3/h7-10,14-15,18H,4-6,11-13,19H2,1-3H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 43106407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).