1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride

C23H46Cl2N2 — CID 173286328

IUPAC1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride
SMILESCCCC1(CCC)CCC2(CCNC2CC(C)N2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C23H44N2.2ClH/c1-4-9-22(10-5-2)11-13-23(14-12-22)15-16-24-21(23)19-20(3)25-17-7-6-8-18-25;;/h20-21,24H,4-19H2,1-3H3;2*1H
InChIKeyNHFWPKUVGDAZHD-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.60
Rot. Bonds7

About 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride

1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride (PubChem CID 173286328) has the molecular formula C23H46Cl2N2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride
PubChem CID173286328
Molecular FormulaC23H46Cl2N2
Molecular Weight421.54 g/mol
Exact Mass420.30
IUPAC Name1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride
SMILESCCCC1(CCC)CCC2(CCNC2CC(C)N2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C23H44N2.2ClH/c1-4-9-22(10-5-2)11-13-23(14-12-22)15-16-24-21(23)19-20(3)25-17-7-6-8-18-25;;/h20-21,24H,4-19H2,1-3H3;2*1H
InChIKeyNHFWPKUVGDAZHD-UHFFFAOYSA-N
XLogP6.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8,8-Dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine
CID 9882164
3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine
CID 9904210
3-Azaspiro(5.5)undecane, 9-tert-butyl-3-(3-(dimethylamino)propyl)-, dihydrochloride
CID 56992
N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine dihydrochloride
CID 119057091
2-(3-(1-Piperidinyl)propyl)-8,8-dipropyl-2-azaspiro(4.5)decane dihydrochloride
CID 15634150
N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56717118
9-(2-Methyl-2,7-diazaspiro[4.5]dec-7-yl)-3-azaspiro[5.5]undecane
CID 56739556
8,8-Diethyl-2-piperidin-4-yl-2-azaspiro[4.5]decane
CID 9817111
2-(4-Piperidinyl)-8,8-dipropyl-2-azaspiro[4.5]-decane dihydrochloride
CID 9842804
2-(4-Piperidinyl)-8,8-dipropyl-2-azaspiro[4.5]decane
CID 9842805
3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride
CID 15634107
3-(8,8-Dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride
CID 15634108

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride (CID 173286328) is 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride is CCCC1(CCC)CCC2(CCNC2CC(C)N2CCCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride?
The InChIKey is NHFWPKUVGDAZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2.2ClH/c1-4-9-22(10-5-2)11-13-23(14-12-22)15-16-24-21(23)19-20(3)25-17-7-6-8-18-25;;/h20-21,24H,4-19H2,1-3H3;2*1H.
What are the key properties of 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride?
1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride has a molecular weight of 421.54 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylpropyl)-8,8-dipropyl-2-azaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 173286328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).