(1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride

C18H30Cl2N2O2 — CID 3048596

IUPAC(1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride
SMILESCCCCN1CCC(OC(=O)CCC)(c2cccnc2)CC1.Cl.Cl
InChIInChI=1S/C18H28N2O2.2ClH/c1-3-5-12-20-13-9-18(10-14-20,22-17(21)7-4-2)16-8-6-11-19-15-16;;/h6,8,11,15H,3-5,7,9-10,12-14H2,1-2H3;2*1H
InChIKeyMFTITSKWDGOERL-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.36
Rot. Bonds7

About (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride

(1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride (PubChem CID 3048596) has the molecular formula C18H30Cl2N2O2 and a molecular weight of 377.36 g/mol. Its IUPAC name is (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride.

Molecular Properties

Compound Name(1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride
PubChem CID3048596
Molecular FormulaC18H30Cl2N2O2
Molecular Weight377.36 g/mol
Exact Mass376.17
IUPAC Name(1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride
SMILESCCCCN1CCC(OC(=O)CCC)(c2cccnc2)CC1.Cl.Cl
InChIInChI=1S/C18H28N2O2.2ClH/c1-3-5-12-20-13-9-18(10-14-20,22-17(21)7-4-2)16-8-6-11-19-15-16;;/h6,8,11,15H,3-5,7,9-10,12-14H2,1-2H3;2*1H
InChIKeyMFTITSKWDGOERL-UHFFFAOYSA-N
XLogP4.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Pyridin-3-yl)methyl acetate
CID 295656
Anibine
CID 249887
(2,6-Diethylphenyl)(3-pyridinyl)methyl acetate
CID 5236931
Adamantane-1-carboxylic acid 1-methyl-1-pyridin-3-yl-ethyl ester
CID 10566080
Pyridin-3-ylmethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 14671646
2-pyridin-4-ylethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71575224
1-Benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]
CID 118705986
(Z)-6-((4S,5R)-2,2-Dimethyl-4-pyridin-3-yl-[1,3]dioxan-5-yl)-hex-4-enoic acid
CID 9972369
4-Piperidinol, 1-butyl-4-(2-pyridyl)methyl-, acetate, dihydrochloride
CID 3048598
Pyridin-4-yl-acetic acid 1-methyl-cyclohexyl ester
CID 44334595
4-(6-Chloro-3-pyridinyl)-1-methyl-4-piperidinyl ethyl carbonate hydrochloride
CID 44722313
Nicotinic acid, 3-(2'-methylpiperidino)propyl ester
CID 46478

Frequently Asked Questions

What is the IUPAC name of (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride?
The IUPAC name of (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride (CID 3048596) is (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride.
What is the SMILES notation for (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride?
The canonical SMILES for (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride is CCCCN1CCC(OC(=O)CCC)(c2cccnc2)CC1.Cl.Cl.
What is the InChIKey of (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride?
The InChIKey is MFTITSKWDGOERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.2ClH/c1-3-5-12-20-13-9-18(10-14-20,22-17(21)7-4-2)16-8-6-11-19-15-16;;/h6,8,11,15H,3-5,7,9-10,12-14H2,1-2H3;2*1H.
What are the key properties of (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride?
(1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride is sourced from PubChem (CID 3048596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).