1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine

C16H26N4 — CID 82171483

IUPAC1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine
SMILESCN1CCC(N)C(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C16H26N4/c1-18-8-7-15(17)16(13-18)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-6,15-16H,7-13,17H2,1H3
InChIKeyPFMUMDPHVKXQAD-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.84
Rot. Bonds2

About 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine

1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine (PubChem CID 82171483) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine
PubChem CID82171483
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine
SMILESCN1CCC(N)C(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C16H26N4/c1-18-8-7-15(17)16(13-18)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-6,15-16H,7-13,17H2,1H3
InChIKeyPFMUMDPHVKXQAD-UHFFFAOYSA-N
XLogP0.84
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine
CID 82171487
4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine
CID 82171454
[2-(4-phenylpiperazin-1-yl)cyclopentyl]methanamine
CID 43293527
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine
CID 103778408
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
3-[[benzyl(propan-2-yl)amino]methyl]-1-methylpiperidin-4-amine
CID 82171540
1-cycloheptyl-4-phenylpiperazine
CID 2846720
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine?
The IUPAC name of 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine (CID 82171483) is 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine?
The canonical SMILES for 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine is CN1CCC(N)C(N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine?
The InChIKey is PFMUMDPHVKXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-18-8-7-15(17)16(13-18)20-11-9-19(10-12-20)14-5-3-2-4-6-14/h2-6,15-16H,7-13,17H2,1H3.
What are the key properties of 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine?
1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine is sourced from PubChem (CID 82171483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).