2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine

C22H37N3O — CID 10269848

IUPAC2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
SMILESc1cc(OCCCN2CCCCC2)ccc1CNCCN1CCCCC1
InChIInChI=1S/C22H37N3O/c1-3-13-24(14-4-1)17-7-19-26-22-10-8-21(9-11-22)20-23-12-18-25-15-5-2-6-16-25/h8-11,23H,1-7,12-20H2
InChIKeyZFPVALPXUPMPKY-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.52
Rot. Bonds10

About 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine

2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine (PubChem CID 10269848) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
PubChem CID10269848
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
SMILESc1cc(OCCCN2CCCCC2)ccc1CNCCN1CCCCC1
InChIInChI=1S/C22H37N3O/c1-3-13-24(14-4-1)17-7-19-26-22-10-8-21(9-11-22)20-23-12-18-25-15-5-2-6-16-25/h8-11,23H,1-7,12-20H2
InChIKeyZFPVALPXUPMPKY-UHFFFAOYSA-N
XLogP3.52
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile
CID 60697219
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 11978855
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine (CID 10269848) is 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine is c1cc(OCCCN2CCCCC2)ccc1CNCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine?
The InChIKey is ZFPVALPXUPMPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O/c1-3-13-24(14-4-1)17-7-19-26-22-10-8-21(9-11-22)20-23-12-18-25-15-5-2-6-16-25/h8-11,23H,1-7,12-20H2.
What are the key properties of 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine?
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine has a molecular weight of 359.56 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 10269848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).