N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine

C18H30N2 — CID 61204878

IUPACN-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C(C)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H30N2/c1-14(2)17-7-9-18(10-8-17)15(3)20-11-5-6-16(13-20)12-19-4/h7-10,14-16,19H,5-6,11-13H2,1-4H3
InChIKeyPEUNAVKHVPHPBT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.80
Rot. Bonds5

About N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine

N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine (PubChem CID 61204878) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
PubChem CID61204878
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C(C)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H30N2/c1-14(2)17-7-9-18(10-8-17)15(3)20-11-5-6-16(13-20)12-19-4/h7-10,14-16,19H,5-6,11-13H2,1-4H3
InChIKeyPEUNAVKHVPHPBT-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
N-methyl-1-[1-[1-(4-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 61205255
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61206350
N-[[(3R)-1-[(1R)-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838903
4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzonitrile
CID 55170195
1-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914638
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 61204886
N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 61205988
1-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61205990
N-[[(3S)-1-[(1S)-1-(4-bromophenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 100848930
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine (CID 61204878) is N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine is CNCC1CCCN(C(C)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is PEUNAVKHVPHPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)17-7-9-18(10-8-17)15(3)20-11-5-6-16(13-20)12-19-4/h7-10,14-16,19H,5-6,11-13H2,1-4H3.
What are the key properties of N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 274.45 g/mol, XLogP of 3.80, 5 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-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 61204878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).