(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C14H27ClN2O — CID 119311371

IUPAC(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC(C)(C)C1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-14(2,3)11-6-9-16(10-7-11)13(17)12-5-4-8-15-12;/h11-12,15H,4-10H2,1-3H3;1H
InChIKeyRTDLXFLLQSDOGB-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.44
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119311371) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119311371
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC(C)(C)C1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-14(2,3)11-6-9-16(10-7-11)13(17)12-5-4-8-15-12;/h11-12,15H,4-10H2,1-3H3;1H
InChIKeyRTDLXFLLQSDOGB-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

(4-tert-butylazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119326041
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707264
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
(4-tert-butylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103814108
(4-tert-butylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61430596
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 119311371) is (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is CC(C)(C)C1CCN(C(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is RTDLXFLLQSDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-14(2,3)11-6-9-16(10-7-11)13(17)12-5-4-8-15-12;/h11-12,15H,4-10H2,1-3H3;1H.
What are the key properties of (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119311371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).