N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine

C17H28N2O — CID 63854102

IUPACN-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(CCCOc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-15(18-2)16-8-6-11-19(14-16)12-7-13-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3
InChIKeyPVZNUZVRLIBFEN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.78
Rot. Bonds7

About N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine

N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine (PubChem CID 63854102) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
PubChem CID63854102
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(CCCOc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-15(18-2)16-8-6-11-19(14-16)12-7-13-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3
InChIKeyPVZNUZVRLIBFEN-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
6-[3-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701930
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine
CID 55068553
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide
CID 63891364
N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanamine
CID 63854447
1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
CID 63855330
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine (CID 63854102) is N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine is CNC(C)C1CCCN(CCCOc2ccccc2)C1.
What is the InChIKey of N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine?
The InChIKey is PVZNUZVRLIBFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(18-2)16-8-6-11-19(14-16)12-7-13-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine?
N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63854102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).