6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane

C17H25N3 — CID 171069732

IUPAC6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane
SMILESc1ccc(N2CCN(CC3CC4(CNC4)C3)CC2)cc1
InChIInChI=1S/C17H25N3/c1-2-4-16(5-3-1)20-8-6-19(7-9-20)12-15-10-17(11-15)13-18-14-17/h1-5,15,18H,6-14H2
InChIKeyOIZJZDHYEVIAEH-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.81
Rot. Bonds3

About 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane

6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane (PubChem CID 171069732) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane
PubChem CID171069732
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane
SMILESc1ccc(N2CCN(CC3CC4(CNC4)C3)CC2)cc1
InChIInChI=1S/C17H25N3/c1-2-4-16(5-3-1)20-8-6-19(7-9-20)12-15-10-17(11-15)13-18-14-17/h1-5,15,18H,6-14H2
InChIKeyOIZJZDHYEVIAEH-UHFFFAOYSA-N
XLogP1.81
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-2-azaspiro[3.3]heptane
CID 171429485
ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461
N-(2,6-dioxopiperidin-3-yl)-6-methoxy-5-[4-[(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170728572
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine
CID 92974402
6-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]spiro[3.3]heptan-2-amine;hydrochloride
CID 154663086
1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
CID 119932561
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
CID 141293309
1-(2-adamantyl)-4-phenylpiperazine
CID 1378368

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane (CID 171069732) is 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane is c1ccc(N2CCN(CC3CC4(CNC4)C3)CC2)cc1.
What is the InChIKey of 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane?
The InChIKey is OIZJZDHYEVIAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-4-16(5-3-1)20-8-6-19(7-9-20)12-15-10-17(11-15)13-18-14-17/h1-5,15,18H,6-14H2.
What are the key properties of 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane?
6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane has a molecular weight of 271.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 171069732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).