(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride

C17H29Cl3N4O — CID 119947468

IUPAC(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
SMILESCC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCNC1.Cl.Cl.Cl
InChIInChI=1S/C17H26N4O.3ClH/c1-17(6-4-7-18-14-17)16(22)21-11-9-20(10-12-21)13-15-5-2-3-8-19-15;;;/h2-3,5,8,18H,4,6-7,9-14H2,1H3;3*1H
InChIKeyJAKNVMMVNISKPN-UHFFFAOYSA-N
MW411.81 g/mol
LogP2.38
Rot. Bonds3

About (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride

(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride (PubChem CID 119947468) has the molecular formula C17H29Cl3N4O and a molecular weight of 411.81 g/mol. Its IUPAC name is (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride.

Molecular Properties

Compound Name(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
PubChem CID119947468
Molecular FormulaC17H29Cl3N4O
Molecular Weight411.81 g/mol
Exact Mass410.14
IUPAC Name(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
SMILESCC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCNC1.Cl.Cl.Cl
InChIInChI=1S/C17H26N4O.3ClH/c1-17(6-4-7-18-14-17)16(22)21-11-9-20(10-12-21)13-15-5-2-3-8-19-15;;;/h2-3,5,8,18H,4,6-7,9-14H2,1H3;3*1H
InChIKeyJAKNVMMVNISKPN-UHFFFAOYSA-N
XLogP2.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
[(2S)-2-methyloxolan-2-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126435893
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946201
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056
[(2S)-piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119901139
azetidin-1-yl-[4-pyrazol-1-yl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanone
CID 155873362
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride?
The IUPAC name of (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride (CID 119947468) is (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride.
What is the SMILES notation for (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride?
The canonical SMILES for (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride is CC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCNC1.Cl.Cl.Cl.
What is the InChIKey of (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride?
The InChIKey is JAKNVMMVNISKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.3ClH/c1-17(6-4-7-18-14-17)16(22)21-11-9-20(10-12-21)13-15-5-2-3-8-19-15;;;/h2-3,5,8,18H,4,6-7,9-14H2,1H3;3*1H.
What are the key properties of (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride?
(3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride has a molecular weight of 411.81 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride is sourced from PubChem (CID 119947468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).