N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine

C19H32N2O — CID 84750313

IUPACN-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCCC2C)c(OC(C)C)c1
InChIInChI=1S/C19H32N2O/c1-5-11-20-14-17-9-10-18(19(13-17)22-15(2)3)21-12-7-6-8-16(21)4/h9-10,13,15-16,20H,5-8,11-12,14H2,1-4H3
InChIKeyHTHAVALLLUHIJJ-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.35
Rot. Bonds7

About N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine

N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine (PubChem CID 84750313) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine
PubChem CID84750313
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCCCC2C)c(OC(C)C)c1
InChIInChI=1S/C19H32N2O/c1-5-11-20-14-17-9-10-18(19(13-17)22-15(2)3)21-12-7-6-8-16(21)4/h9-10,13,15-16,20H,5-8,11-12,14H2,1-4H3
InChIKeyHTHAVALLLUHIJJ-UHFFFAOYSA-N
XLogP4.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 84754813
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195
N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 84750292
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
N-[[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81149735
N-methyl-1-(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methanamine
CID 84750300
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058827
N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 84750601
N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine
CID 84754215

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine (CID 84750313) is N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine is CCCNCc1ccc(N2CCCCC2C)c(OC(C)C)c1.
What is the InChIKey of N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine?
The InChIKey is HTHAVALLLUHIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-5-11-20-14-17-9-10-18(19(13-17)22-15(2)3)21-12-7-6-8-16(21)4/h9-10,13,15-16,20H,5-8,11-12,14H2,1-4H3.
What are the key properties of N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine?
N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine has a molecular weight of 304.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 84750313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).