(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride

C16H25ClN2O — CID 75526663

IUPAC(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-10-4-5-14(17)11-18;/h6-9,14H,4-5,10-11,17H2,1-3H3;1H
InChIKeyRMRJCSFKVPXUPF-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.97
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride (PubChem CID 75526663) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
PubChem CID75526663
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-10-4-5-14(17)11-18;/h6-9,14H,4-5,10-11,17H2,1-3H3;1H
InChIKeyRMRJCSFKVPXUPF-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 63393021
(4-tert-butylphenyl)-(3-chloropiperidin-1-yl)methanone
CID 63392824
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 119592537
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119380259
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
(3-amino-5-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79994551
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79879858

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride (CID 75526663) is (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride is CC(C)(C)c1ccc(C(=O)N2CCCC(N)C2)cc1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride?
The InChIKey is RMRJCSFKVPXUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-10-4-5-14(17)11-18;/h6-9,14H,4-5,10-11,17H2,1-3H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride is sourced from PubChem (CID 75526663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).