N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine

C18H30N2 — CID 63250634

IUPACN-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
SMILESCCCc1ccc(C(C)N2CCC(CNC)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-5-16-6-8-18(9-7-16)15(2)20-12-10-17(11-13-20)14-19-3/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyKBRIISSCJXHJIQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.63
Rot. Bonds6

About N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine

N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine (PubChem CID 63250634) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
PubChem CID63250634
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
SMILESCCCc1ccc(C(C)N2CCC(CNC)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-5-16-6-8-18(9-7-16)15(2)20-12-10-17(11-13-20)14-19-3/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyKBRIISSCJXHJIQ-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
CID 80550513
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 60856073
4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzonitrile
CID 55170195
1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 104653772
N-[[1-[1-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550986
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine (CID 63250634) is N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine is CCCc1ccc(C(C)N2CCC(CNC)CC2)cc1.
What is the InChIKey of N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine?
The InChIKey is KBRIISSCJXHJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-16-6-8-18(9-7-16)15(2)20-12-10-17(11-13-20)14-19-3/h6-9,15,17,19H,4-5,10-14H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine has a molecular weight of 274.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 63250634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).