piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride

C14H27ClN2O — CID 119337253

IUPACpiperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
SMILESCCCC1CCCN(C(=O)C2CCCNC2)C1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-2-5-12-6-4-9-16(11-12)14(17)13-7-3-8-15-10-13;/h12-13,15H,2-11H2,1H3;1H
InChIKeyOALUTBPIYCZITE-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.45
Rot. Bonds3

About piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride

piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119337253) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119337253
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Namepiperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
SMILESCCCC1CCCN(C(=O)C2CCCNC2)C1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-2-5-12-6-4-9-16(11-12)14(17)13-7-3-8-15-10-13;/h12-13,15H,2-11H2,1H3;1H
InChIKeyOALUTBPIYCZITE-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119895885
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894675
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride (CID 119337253) is piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride is CCCC1CCCN(C(=O)C2CCCNC2)C1.Cl.
What is the InChIKey of piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is OALUTBPIYCZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-2-5-12-6-4-9-16(11-12)14(17)13-7-3-8-15-10-13;/h12-13,15H,2-11H2,1H3;1H.
What are the key properties of piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride?
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119337253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).