1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one

C18H34N2O — CID 178000194

IUPAC1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
SMILESCCN1CCC(CC2CCN(C(=O)CC(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-4-19-9-5-16(6-10-19)14-17-7-11-20(12-8-17)18(21)13-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyLGRKPAKGUFCNSQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one

1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 178000194) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
PubChem CID178000194
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
SMILESCCN1CCC(CC2CCN(C(=O)CC(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-4-19-9-5-16(6-10-19)14-17-7-11-20(12-8-17)18(21)13-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyLGRKPAKGUFCNSQ-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Bis(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 4192357
1,5-Bis(3-methylpiperidin-1-yl)pentane-1,5-dione
CID 4576685
3-Piperidinecarboxamide, N,N-diethyl-1-hexyl-, monohydrobromide
CID 120537
Piperidine, 1-(2-propylvaleryl)-
CID 201026
Piperazine, 1-methyl-4-(2-propylvaleryl)-
CID 211192
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11546730
1-[4-[2-(1-Methylpiperidin-4-yl)ethyl]piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11576426
1-{4-[3-(1-Acetyl-piperidin-4-YL)-propyl]-piperidin-1-YL}-ethanone
CID 20752246
Butanamide, N,N-bis(2-ethylhexyl)-
CID 533363
1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]heptadecan-1-one;hydrochloride
CID 11648484
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]tridecan-1-one;hydrochloride
CID 11704360

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one (CID 178000194) is 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one is CCN1CCC(CC2CCN(C(=O)CC(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is LGRKPAKGUFCNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-19-9-5-16(6-10-19)14-17-7-11-20(12-8-17)18(21)13-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one?
1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 178000194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).