1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride

C22H35ClN2O — CID 119622481

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
SMILESCC(C)c1ccc(C(C)CC(=O)N2CCC(NCC3CC3)CC2)cc1.Cl
InChIInChI=1S/C22H34N2O.ClH/c1-16(2)19-6-8-20(9-7-19)17(3)14-22(25)24-12-10-21(11-13-24)23-15-18-4-5-18;/h6-9,16-18,21,23H,4-5,10-15H2,1-3H3;1H
InChIKeyKUTGGLPYFCOQDE-UHFFFAOYSA-N
MW378.99 g/mol
LogP4.72
Rot. Bonds7

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride (PubChem CID 119622481) has the molecular formula C22H35ClN2O and a molecular weight of 378.99 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
PubChem CID119622481
Molecular FormulaC22H35ClN2O
Molecular Weight378.99 g/mol
Exact Mass378.24
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
SMILESCC(C)c1ccc(C(C)CC(=O)N2CCC(NCC3CC3)CC2)cc1.Cl
InChIInChI=1S/C22H34N2O.ClH/c1-16(2)19-6-8-20(9-7-19)17(3)14-22(25)24-12-10-21(11-13-24)23-15-18-4-5-18;/h6-9,16-18,21,23H,4-5,10-15H2,1-3H3;1H
InChIKeyKUTGGLPYFCOQDE-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.99
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 119623905
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 119645141
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 119624500
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119621897
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
CID 104502322
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 81483865
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one
CID 119622399
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(3-fluorophenyl)-2-methylbutane-1,4-dione;hydrochloride
CID 119622521
1-(3-aminopiperidin-1-yl)-3-(4-propan-2-ylphenyl)butan-1-one
CID 119378198
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 119621899
3-(4-aminophenyl)-1-(4-methylazepan-1-yl)butan-1-one
CID 104502625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride (CID 119622481) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride is CC(C)c1ccc(C(C)CC(=O)N2CCC(NCC3CC3)CC2)cc1.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride?
The InChIKey is KUTGGLPYFCOQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O.ClH/c1-16(2)19-6-8-20(9-7-19)17(3)14-22(25)24-12-10-21(11-13-24)23-15-18-4-5-18;/h6-9,16-18,21,23H,4-5,10-15H2,1-3H3;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride has a molecular weight of 378.99 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 119622481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).