N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

C22H36N4 — CID 171070048

IUPACN-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCNC1CCC2(CC1)CCN(CN1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C22H36N4/c1-23-20-7-9-22(10-8-20)11-13-24(14-12-22)19-25-15-17-26(18-16-25)21-5-3-2-4-6-21/h2-6,20,23H,7-19H2,1H3
InChIKeySOSBBTSAHHQTET-UHFFFAOYSA-N
MW356.56 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 171070048) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID171070048
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC NameN-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCNC1CCC2(CC1)CCN(CN1CCN(c3ccccc3)CC1)CC2
InChIInChI=1S/C22H36N4/c1-23-20-7-9-22(10-8-20)11-13-24(14-12-22)19-25-15-17-26(18-16-25)21-5-3-2-4-6-21/h2-6,20,23H,7-19H2,1H3
InChIKeySOSBBTSAHHQTET-UHFFFAOYSA-N
XLogP3.01
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-[1-[(4-phenylpiperazin-1-yl)methyl]-4-propylpiperidin-4-yl]ethanamine
CID 171069867
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
CID 59367733
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-(3-phenyl-3,10-diazaspiro[5.7]tridecan-10-yl)acetaldehyde
CID 164923692
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441020
methyl (2S)-4-(6-azaspiro[2.5]octan-6-yl)-2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)butanoate
CID 143932731
6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane
CID 171069732
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 2575629

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (CID 171070048) is N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is CNC1CCC2(CC1)CCN(CN1CCN(c3ccccc3)CC1)CC2.
What is the InChIKey of N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is SOSBBTSAHHQTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4/c1-23-20-7-9-22(10-8-20)11-13-24(14-12-22)19-25-15-17-26(18-16-25)21-5-3-2-4-6-21/h2-6,20,23H,7-19H2,1H3.
What are the key properties of N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 356.56 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 171070048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).