N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine

C17H28N2 — CID 63249483

IUPACN-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C(C)CCc1ccccc1
InChIInChI=1S/C17H28N2/c1-15(11-12-16-8-4-3-5-9-16)19-13-7-6-10-17(19)14-18-2/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3
InChIKeyRSUYESYZTIHCNB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.08
Rot. Bonds6

About N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine

N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine (PubChem CID 63249483) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
PubChem CID63249483
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C(C)CCc1ccccc1
InChIInChI=1S/C17H28N2/c1-15(11-12-16-8-4-3-5-9-16)19-13-7-6-10-17(19)14-18-2/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3
InChIKeyRSUYESYZTIHCNB-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol
CID 63249276
3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062576
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
CID 63249107
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243
2-methyl-1-(4-phenylbutan-2-yl)piperazine
CID 64932306
(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
CID 135000070
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249528

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine (CID 63249483) is N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine is CNCC1CCCCN1C(C)CCc1ccccc1.
What is the InChIKey of N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine?
The InChIKey is RSUYESYZTIHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(11-12-16-8-4-3-5-9-16)19-13-7-6-10-17(19)14-18-2/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine?
N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.08, 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-phenylbutan-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 63249483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).