1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine

C16H26N4 — CID 70892281

IUPAC1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(N3CCNCC3)cc2)CC1
InChIInChI=1S/C16H26N4/c17-15-5-9-19(10-6-15)13-14-1-3-16(4-2-14)20-11-7-18-8-12-20/h1-4,15,18H,5-13,17H2
InChIKeyJNSVFGUHPWQEMZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.02
Rot. Bonds3

About 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine

1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine (PubChem CID 70892281) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine
PubChem CID70892281
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(N3CCNCC3)cc2)CC1
InChIInChI=1S/C16H26N4/c17-15-5-9-19(10-6-15)13-14-1-3-16(4-2-14)20-11-7-18-8-12-20/h1-4,15,18H,5-13,17H2
InChIKeyJNSVFGUHPWQEMZ-UHFFFAOYSA-N
XLogP1.02
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-benzylpiperidin-4-amine;piperazine
CID 68641719
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-benzylpyrrolidin-3-amine;N,1-dimethylpiperidin-4-amine;1-(4-fluorophenyl)piperazine
CID 70120820
[4-(4-aminopiperidin-1-yl)phenyl]methanol
CID 124707256
1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 119907556
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[(4-ethylsulfanylphenyl)methyl]piperidin-4-amine
CID 83727457
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
CID 154724497
1-(4-benzylphenyl)piperazine
CID 4738749
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[4-[(4-piperazin-1-ylphenyl)methyl]piperidin-1-yl]ethanone
CID 19390831

Frequently Asked Questions

What is the IUPAC name of 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine (CID 70892281) is 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine is NC1CCN(Cc2ccc(N3CCNCC3)cc2)CC1.
What is the InChIKey of 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine?
The InChIKey is JNSVFGUHPWQEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c17-15-5-9-19(10-6-15)13-14-1-3-16(4-2-14)20-11-7-18-8-12-20/h1-4,15,18H,5-13,17H2.
What are the key properties of 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine?
1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 70892281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).