3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane

C19H36N2 — CID 81047442

IUPAC3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
SMILESCC(CCN1CCC2(CCCCC2)CC1)C1CCCNC1
InChIInChI=1S/C19H36N2/c1-17(18-6-5-12-20-16-18)7-13-21-14-10-19(11-15-21)8-3-2-4-9-19/h17-18,20H,2-16H2,1H3
InChIKeySHNNXGDNHIMKCA-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.06
Rot. Bonds4

About 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane

3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane (PubChem CID 81047442) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
PubChem CID81047442
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
SMILESCC(CCN1CCC2(CCCCC2)CC1)C1CCCNC1
InChIInChI=1S/C19H36N2/c1-17(18-6-5-12-20-16-18)7-13-21-14-10-19(11-15-21)8-3-2-4-9-19/h17-18,20H,2-16H2,1H3
InChIKeySHNNXGDNHIMKCA-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
CID 81045800
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
1-(3-piperidin-3-ylbutyl)-4-(trifluoromethyl)piperidine
CID 81045481
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505
3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065
N,N-dimethyl-1-(3-piperidin-3-ylbutyl)piperidin-3-amine
CID 81045799
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
CID 81045404
8-(3-piperidin-3-ylpropyl)-8-azaspiro[4.5]decane
CID 63161199
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749743
3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide
CID 102884232

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane (CID 81047442) is 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane is CC(CCN1CCC2(CCCCC2)CC1)C1CCCNC1.
What is the InChIKey of 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane?
The InChIKey is SHNNXGDNHIMKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-17(18-6-5-12-20-16-18)7-13-21-14-10-19(11-15-21)8-3-2-4-9-19/h17-18,20H,2-16H2,1H3.
What are the key properties of 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane?
3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane has a molecular weight of 292.51 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 81047442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).