1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine

C16H27N3O — CID 114526497

IUPAC1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine
SMILESCN(C)CCCOc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C16H27N3O/c1-18(2)10-5-13-20-16-7-4-3-6-15(16)19-11-8-14(17)9-12-19/h3-4,6-7,14H,5,8-13,17H2,1-2H3
InChIKeyNPLFZBFZSMXSGB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.94
Rot. Bonds6

About 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine

1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine (PubChem CID 114526497) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine
PubChem CID114526497
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine
SMILESCN(C)CCCOc1ccccc1N1CCC(N)CC1
InChIInChI=1S/C16H27N3O/c1-18(2)10-5-13-20-16-7-4-3-6-15(16)19-11-8-14(17)9-12-19/h3-4,6-7,14H,5,8-13,17H2,1-2H3
InChIKeyNPLFZBFZSMXSGB-UHFFFAOYSA-N
XLogP1.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.94
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

1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine
CID 115517958
1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine
CID 114526509
1-[2-(3-methoxy-3-methylbutoxy)phenyl]piperidin-4-amine
CID 103036440
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine
CID 62697897
N,N-dimethyl-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenoxy]ethanamine
CID 120848506
4-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butan-1-one
CID 119903300
1-[2-(4-methylcyclohexyl)oxyphenyl]piperidin-4-amine
CID 64774458
1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine
CID 114526504
2-amino-1-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]-2-methylpropan-1-one;trihydrochloride
CID 119903277
1-[2-(3-fluoropropoxy)phenyl]piperidin-3-amine
CID 81113423
1-(2-butoxyphenyl)pyrrolidine
CID 154391189

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine (CID 114526497) is 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine is CN(C)CCCOc1ccccc1N1CCC(N)CC1.
What is the InChIKey of 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine?
The InChIKey is NPLFZBFZSMXSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(2)10-5-13-20-16-7-4-3-6-15(16)19-11-8-14(17)9-12-19/h3-4,6-7,14H,5,8-13,17H2,1-2H3.
What are the key properties of 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine?
1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propoxy]phenyl]piperidin-4-amine is sourced from PubChem (CID 114526497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).