3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine

C17H27N3 — CID 63180061

IUPAC3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine
SMILESCC1CN(c2ccc(N3CCCCC3)cc2)CCC1N
InChIInChI=1S/C17H27N3/c1-14-13-20(12-9-17(14)18)16-7-5-15(6-8-16)19-10-3-2-4-11-19/h5-8,14,17H,2-4,9-13,18H2,1H3
InChIKeyGHFFCNXHPXEIER-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.85
Rot. Bonds2

About 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine

3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine (PubChem CID 63180061) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine
PubChem CID63180061
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine
SMILESCC1CN(c2ccc(N3CCCCC3)cc2)CCC1N
InChIInChI=1S/C17H27N3/c1-14-13-20(12-9-17(14)18)16-7-5-15(6-8-16)19-10-3-2-4-11-19/h5-8,14,17H,2-4,9-13,18H2,1H3
InChIKeyGHFFCNXHPXEIER-UHFFFAOYSA-N
XLogP2.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-methylpiperidin-1-yl)-N-cyclopropylbenzenesulfonamide
CID 79874852
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine
CID 59628067
1-(4-methylphenyl)azepan-3-amine
CID 84672656
4-(3-methylazepan-1-yl)aniline
CID 23103826
2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 154805597
3-methyl-1-(2,3,4,5,6-pentafluorophenyl)piperidin-4-amine
CID 79868650
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
methylcyclohexane;1-phenylpiperidine
CID 174582589
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine (CID 63180061) is 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine is CC1CN(c2ccc(N3CCCCC3)cc2)CCC1N.
What is the InChIKey of 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine?
The InChIKey is GHFFCNXHPXEIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-13-20(12-9-17(14)18)16-7-5-15(6-8-16)19-10-3-2-4-11-19/h5-8,14,17H,2-4,9-13,18H2,1H3.
What are the key properties of 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine?
3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 63180061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).