N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine

C17H28N2O — CID 102968090

IUPACN-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN1CCCC(OC)C1
InChIInChI=1S/C17H28N2O/c1-3-10-18-12-15-7-4-5-8-16(15)13-19-11-6-9-17(14-19)20-2/h4-5,7-8,17-18H,3,6,9-14H2,1-2H3
InChIKeyCHAYPJFSKCRPOS-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds7

About N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine

N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 102968090) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID102968090
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN1CCCC(OC)C1
InChIInChI=1S/C17H28N2O/c1-3-10-18-12-15-7-4-5-8-16(15)13-19-11-6-9-17(14-19)20-2/h4-5,7-8,17-18H,3,6,9-14H2,1-2H3
InChIKeyCHAYPJFSKCRPOS-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63620637
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 103539771
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 102967782
2-fluoro-3-[(3-methoxypiperidin-1-yl)methyl]benzonitrile
CID 103912132
N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 102968207
3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
CID 102966730

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine (CID 102968090) is N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1CN1CCCC(OC)C1.
What is the InChIKey of N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is CHAYPJFSKCRPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-18-12-15-7-4-5-8-16(15)13-19-11-6-9-17(14-19)20-2/h4-5,7-8,17-18H,3,6,9-14H2,1-2H3.
What are the key properties of N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 102968090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).