1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride

C16H31ClN2O — CID 119762687

IUPAC1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
SMILESCC(C)(C)C1CCN(C(=O)CC2CCNCC2)CC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-16(2,3)14-6-10-18(11-7-14)15(19)12-13-4-8-17-9-5-13;/h13-14,17H,4-12H2,1-3H3;1H
InChIKeyKRTANQZIUNLFJZ-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.08
Rot. Bonds2

About 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride

1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride (PubChem CID 119762687) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
PubChem CID119762687
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
SMILESCC(C)(C)C1CCN(C(=O)CC2CCNCC2)CC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-16(2,3)14-6-10-18(11-7-14)15(19)12-13-4-8-17-9-5-13;/h13-14,17H,4-12H2,1-3H3;1H
InChIKeyKRTANQZIUNLFJZ-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
1-(2,2-dimethylthiomorpholin-4-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119791856
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
CID 62084699
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
CID 61029365

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride (CID 119762687) is 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride is CC(C)(C)C1CCN(C(=O)CC2CCNCC2)CC1.Cl.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride?
The InChIKey is KRTANQZIUNLFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-16(2,3)14-6-10-18(11-7-14)15(19)12-13-4-8-17-9-5-13;/h13-14,17H,4-12H2,1-3H3;1H.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride?
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride is sourced from PubChem (CID 119762687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).