N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine

C17H26N2 — CID 142176802

IUPACN-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine
SMILESC=C(CCc1ccccc1)N1CCCC(CNC)C1
InChIInChI=1S/C17H26N2/c1-15(10-11-16-7-4-3-5-8-16)19-12-6-9-17(14-19)13-18-2/h3-5,7-8,17-18H,1,6,9-14H2,2H3
InChIKeyIMFQVZZALAQENO-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.06
Rot. Bonds6

About N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine

N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine (PubChem CID 142176802) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine
PubChem CID142176802
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine
SMILESC=C(CCc1ccccc1)N1CCCC(CNC)C1
InChIInChI=1S/C17H26N2/c1-15(10-11-16-7-4-3-5-8-16)19-12-6-9-17(14-19)13-18-2/h3-5,7-8,17-18H,1,6,9-14H2,2H3
InChIKeyIMFQVZZALAQENO-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 119396607
1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
CID 119396870
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119396606
(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
CID 119398967
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119396797

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine (CID 142176802) is N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine is C=C(CCc1ccccc1)N1CCCC(CNC)C1.
What is the InChIKey of N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine?
The InChIKey is IMFQVZZALAQENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-15(10-11-16-7-4-3-5-8-16)19-12-6-9-17(14-19)13-18-2/h3-5,7-8,17-18H,1,6,9-14H2,2H3.
What are the key properties of N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.06, 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-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 142176802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).