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

C17H27ClN2O — CID 119592537

IUPAC(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1N.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-11-19(10-9-15(12)18)16(20)13-5-7-14(8-6-13)17(2,3)4;/h5-8,12,15H,9-11,18H2,1-4H3;1H
InChIKeyLBPVWCNCHOSQPL-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.22
Rot. Bonds1

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

(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride (PubChem CID 119592537) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
PubChem CID119592537
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1N.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-11-19(10-9-15(12)18)16(20)13-5-7-14(8-6-13)17(2,3)4;/h5-8,12,15H,9-11,18H2,1-4H3;1H
InChIKeyLBPVWCNCHOSQPL-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79879858
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727567
(4-amino-3-methylpiperidin-1-yl)-(4-nitrophenyl)methanone;hydrochloride
CID 119592233
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
(4-amino-3-methylpiperidin-1-yl)-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 119592466
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
(3-amino-5-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79994551
1-(4-amino-3-methylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119592342

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride (CID 119592537) is (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride is CC1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1N.Cl.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride?
The InChIKey is LBPVWCNCHOSQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-11-19(10-9-15(12)18)16(20)13-5-7-14(8-6-13)17(2,3)4;/h5-8,12,15H,9-11,18H2,1-4H3;1H.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride?
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119592537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).