N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine

C17H28N2O — CID 62420584

IUPACN-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(OC)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-10-18-13-15-4-6-16(7-5-15)14-19-11-8-17(20-2)9-12-19/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyDHBLGPUJQUEKDX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds7

About N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine

N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 62420584) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID62420584
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(OC)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-10-18-13-15-4-6-16(7-5-15)14-19-11-8-17(20-2)9-12-19/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyDHBLGPUJQUEKDX-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-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine
CID 105346947
N-[[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propan-1-amine
CID 64583399
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
N-[[5-[(4-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55074985
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]methyl]propan-1-amine
CID 115562146
N-[[4-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103535331
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63492791
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970577
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]propan-1-amine
CID 104960962
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butan-1-amine
CID 112722208

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine (CID 62420584) is N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCC(OC)CC2)cc1.
What is the InChIKey of N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is DHBLGPUJQUEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-18-13-15-4-6-16(7-5-15)14-19-11-8-17(20-2)9-12-19/h4-7,17-18H,3,8-14H2,1-2H3.
What are the key properties of N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine?
N-[[4-[(4-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-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62420584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).