N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine

C17H28N2O — CID 62582034

IUPACN-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(Cc2ccccc2OC)C1
InChIInChI=1S/C17H28N2O/c1-3-10-18-12-15-7-6-11-19(13-15)14-16-8-4-5-9-17(16)20-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3
InChIKeyWDYWLHLNMDYVPO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds7

About N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine

N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine (PubChem CID 62582034) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
PubChem CID62582034
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(Cc2ccccc2OC)C1
InChIInChI=1S/C17H28N2O/c1-3-10-18-12-15-7-6-11-19(13-15)14-16-8-4-5-9-17(16)20-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3
InChIKeyWDYWLHLNMDYVPO-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512223
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 126431258
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581870
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
N-[[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581504
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104792407
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102968090

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine (CID 62582034) is N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(Cc2ccccc2OC)C1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is WDYWLHLNMDYVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-18-12-15-7-6-11-19(13-15)14-16-8-4-5-9-17(16)20-2/h4-5,8-9,15,18H,3,6-7,10-14H2,1-2H3.
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine?
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62582034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).