piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride

C14H27ClN2O — CID 119326458

IUPACpiperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCCCN1C(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11(2)13-5-3-4-10-16(13)14(17)12-6-8-15-9-7-12;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyQRLSCBQHDRDMBG-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.44
Rot. Bonds2

About piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride

piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119326458) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119326458
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Namepiperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCCCN1C(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11(2)13-5-3-4-10-16(13)14(17)12-6-8-15-9-7-12;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyQRLSCBQHDRDMBG-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82241133
[(2R)-piperidin-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 104914149
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129371138
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120987548
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119788481
[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119802221
[(1R,2S)-2-nitrooxy-4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]cyclopentyl] nitrate
CID 59178167
[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 129494165

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride (CID 119326458) is piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride is CC(C)C1CCCCN1C(=O)C1CCNCC1.Cl.
What is the InChIKey of piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is QRLSCBQHDRDMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-11(2)13-5-3-4-10-16(13)14(17)12-6-8-15-9-7-12;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride?
piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119326458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).