N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine

C16H26N2 — CID 43280373

IUPACN-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1N1CCCCC1C
InChIInChI=1S/C16H26N2/c1-3-11-17-13-15-9-4-5-10-16(15)18-12-7-6-8-14(18)2/h4-5,9-10,14,17H,3,6-8,11-13H2,1-2H3
InChIKeyKRUFDWFHVWSSQD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds5

About N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine

N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 43280373) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID43280373
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1N1CCCCC1C
InChIInChI=1S/C16H26N2/c1-3-11-17-13-15-9-4-5-10-16(15)18-12-7-6-8-14(18)2/h4-5,9-10,14,17H,3,6-8,11-13H2,1-2H3
InChIKeyKRUFDWFHVWSSQD-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenyl]methyl]propan-1-amine
CID 43628414
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 102884896
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
N-[[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62285071
3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
CID 63606315
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine
CID 62286928
1-[1-[2-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836661
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114847257

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine (CID 43280373) is N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1N1CCCCC1C.
What is the InChIKey of N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is KRUFDWFHVWSSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-11-17-13-15-9-4-5-10-16(15)18-12-7-6-8-14(18)2/h4-5,9-10,14,17H,3,6-8,11-13H2,1-2H3.
What are the key properties of N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine?
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43280373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).