2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane

C17H34N4 — CID 171359115

IUPAC2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
SMILESC[C@@H](CN1CCN(C)CC1)N1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C17H34N4/c1-16(14-20-12-10-18(2)11-13-20)21-8-5-17(6-9-21)4-7-19(3)15-17/h16H,4-15H2,1-3H3/t16-/m0/s1
InChIKeyHAJZYFCQZLDOIN-INIZCTEOSA-N
MW294.49 g/mol
LogP1.04
Rot. Bonds3

About 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane

2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 171359115) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
PubChem CID171359115
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
SMILESC[C@@H](CN1CCN(C)CC1)N1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C17H34N4/c1-16(14-20-12-10-18(2)11-13-20)21-8-5-17(6-9-21)4-7-19(3)15-17/h16H,4-15H2,1-3H3/t16-/m0/s1
InChIKeyHAJZYFCQZLDOIN-INIZCTEOSA-N
XLogP1.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane (CID 171359115) is 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane is C[C@@H](CN1CCN(C)CC1)N1CCC2(CCN(C)C2)CC1.
What is the InChIKey of 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is HAJZYFCQZLDOIN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34N4/c1-16(14-20-12-10-18(2)11-13-20)21-8-5-17(6-9-21)4-7-19(3)15-17/h16H,4-15H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane?
2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane has a molecular weight of 294.49 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 171359115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).