2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine

C19H32N2 — CID 105347648

IUPAC2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
SMILESCCC1(C)CCN(Cc2ccc(C(C)CNC)cc2)CC1
InChIInChI=1S/C19H32N2/c1-5-19(3)10-12-21(13-11-19)15-17-6-8-18(9-7-17)16(2)14-20-4/h6-9,16,20H,5,10-15H2,1-4H3
InChIKeyJJSVXYMYIDHMCZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine

2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine (PubChem CID 105347648) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
PubChem CID105347648
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
SMILESCCC1(C)CCN(Cc2ccc(C(C)CNC)cc2)CC1
InChIInChI=1S/C19H32N2/c1-5-19(3)10-12-21(13-11-19)15-17-6-8-18(9-7-17)16(2)14-20-4/h6-9,16,20H,5,10-15H2,1-4H3
InChIKeyJJSVXYMYIDHMCZ-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347946
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63492791
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347692
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333
1-[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 63160456
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63159975
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801
1-[(4-chloro-3-nitrophenyl)methyl]-4-ethyl-4-methylpiperidine
CID 63480223
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine (CID 105347648) is 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine is CCC1(C)CCN(Cc2ccc(C(C)CNC)cc2)CC1.
What is the InChIKey of 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is JJSVXYMYIDHMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-19(3)10-12-21(13-11-19)15-17-6-8-18(9-7-17)16(2)14-20-4/h6-9,16,20H,5,10-15H2,1-4H3.
What are the key properties of 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105347648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).