N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine

C16H26N2O — CID 106635115

IUPACN-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCN(CCCOc1ccccc1)CC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-18(14-15-8-5-6-11-17-15)12-7-13-19-16-9-3-2-4-10-16/h2-4,9-10,15,17H,5-8,11-14H2,1H3
InChIKeyKRPAAOPJDGTYCZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds7

About N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine

N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106635115) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106635115
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCN(CCCOc1ccccc1)CC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-18(14-15-8-5-6-11-17-15)12-7-13-19-16-9-3-2-4-10-16/h2-4,9-10,15,17H,5-8,11-14H2,1H3
InChIKeyKRPAAOPJDGTYCZ-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336
2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106613622
4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 106613675
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
2-(2-phenoxyethoxymethyl)piperidine
CID 24692889
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
4-[methyl(piperidin-2-ylmethyl)amino]butan-1-ol
CID 106635214
2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 174499789
(E)-N-methyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-en-1-amine
CID 106635606
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638318

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106635115) is N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine is CN(CCCOc1ccccc1)CC1CCCCN1.
What is the InChIKey of N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is KRPAAOPJDGTYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(14-15-8-5-6-11-17-15)12-7-13-19-16-9-3-2-4-10-16/h2-4,9-10,15,17H,5-8,11-14H2,1H3.
What are the key properties of N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine?
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106635115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).