N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine

C18H30N2 — CID 80550733

IUPACN-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(CC)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-4-18(17-8-6-15(3)7-9-17)20-12-10-16(11-13-20)14-19-5-2/h6-9,16,18-19H,4-5,10-14H2,1-3H3
InChIKeySXKPUSGTKOJKEJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds6

About N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 80550733) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
PubChem CID80550733
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(CC)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-4-18(17-8-6-15(3)7-9-17)20-12-10-16(11-13-20)14-19-5-2/h6-9,16,18-19H,4-5,10-14H2,1-3H3
InChIKeySXKPUSGTKOJKEJ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
CID 80551485
N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
CID 103465126
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119644558
1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922604
N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 61205988
2-[1-[1-(4-methylphenyl)propyl]azetidin-3-yl]acetic acid
CID 65069237
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
1-[1-(4-methylphenyl)propyl]piperidin-3-amine
CID 61297923
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
CID 80550513
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine (CID 80550733) is N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C(CC)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is SXKPUSGTKOJKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-18(17-8-6-15(3)7-9-17)20-12-10-16(11-13-20)14-19-5-2/h6-9,16,18-19H,4-5,10-14H2,1-3H3.
What are the key properties of N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80550733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).