1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride

C17H33ClN2O — CID 119621897

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCC(NCC2CC2)CC1)C(C)(C)C.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13(17(2,3)4)11-16(20)19-9-7-15(8-10-19)18-12-14-5-6-14;/h13-15,18H,5-12H2,1-4H3;1H
InChIKeyFRNCDKPRSSDBFJ-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.47
Rot. Bonds5

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride (PubChem CID 119621897) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
PubChem CID119621897
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCC(NCC2CC2)CC1)C(C)(C)C.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13(17(2,3)4)11-16(20)19-9-7-15(8-10-19)18-12-14-5-6-14;/h13-15,18H,5-12H2,1-4H3;1H
InChIKeyFRNCDKPRSSDBFJ-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 81483865
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
CID 119622481
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
3-cyclopentyl-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
CID 119622386
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 119623905
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119622312

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride (CID 119621897) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride is CC(CC(=O)N1CCC(NCC2CC2)CC1)C(C)(C)C.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride?
The InChIKey is FRNCDKPRSSDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-13(17(2,3)4)11-16(20)19-9-7-15(8-10-19)18-12-14-5-6-14;/h13-15,18H,5-12H2,1-4H3;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.47, 5 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]-3,4,4-trimethylpentan-1-one;hydrochloride is sourced from PubChem (CID 119621897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).