9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C18H35N3 — CID 64946727

IUPAC9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CC1CCCCN1C
InChIInChI=1S/C18H35N3/c1-15(2)17-12-19-18(9-5-6-10-18)14-21(17)13-16-8-4-7-11-20(16)3/h15-17,19H,4-14H2,1-3H3
InChIKeyVFKYZFWSRHCYPS-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.71
Rot. Bonds3

About 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64946727) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64946727
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CC1CCCCN1C
InChIInChI=1S/C18H35N3/c1-15(2)17-12-19-18(9-5-6-10-18)14-21(17)13-16-8-4-7-11-20(16)3/h15-17,19H,4-14H2,1-3H3
InChIKeyVFKYZFWSRHCYPS-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(1-methylpiperidin-3-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947685
4-(oxan-2-ylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64875697
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
CID 64946582
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
9-[3-(oxolan-2-yl)propyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 65170041
9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875640
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428
5-cyclopropyl-2,5-dimethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64948073

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64946727) is 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CNC2(CCCC2)CN1CC1CCCCN1C.
What is the InChIKey of 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is VFKYZFWSRHCYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15(2)17-12-19-18(9-5-6-10-18)14-21(17)13-16-8-4-7-11-20(16)3/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 293.50 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylpiperidin-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64946727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).