5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride

C15H26Cl2N4 — CID 155940752

IUPAC5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc(CN2CCC(C3CCNCC3)CC2)cn1
InChIInChI=1S/C15H24N4.2ClH/c1-5-16-6-2-14(1)15-3-7-19(8-4-15)11-13-9-17-12-18-10-13;;/h9-10,12,14-16H,1-8,11H2;2*1H
InChIKeyBJLFZYQXHWELSI-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.53
Rot. Bonds3

About 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride

5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride (PubChem CID 155940752) has the molecular formula C15H26Cl2N4 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride
PubChem CID155940752
Molecular FormulaC15H26Cl2N4
Molecular Weight333.31 g/mol
Exact Mass332.15
IUPAC Name5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc(CN2CCC(C3CCNCC3)CC2)cn1
InChIInChI=1S/C15H24N4.2ClH/c1-5-16-6-2-14(1)15-3-7-19(8-4-15)11-13-9-17-12-18-10-13;;/h9-10,12,14-16H,1-8,11H2;2*1H
InChIKeyBJLFZYQXHWELSI-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride
CID 167312057
5-(piperazin-1-ylmethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 170306096
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
CID 146039698
4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 95557007
1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-piperidin-4-ylpiperidine
CID 146040890
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 127247070
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
7-(1-benzylpiperidin-4-yl)-9H-purin-8-one;7-piperidin-4-yl-9H-purin-8-one;hydrochloride
CID 161068997
1-(2-fluoroethyl)-4-piperidin-4-ylpiperidine
CID 174296448

Frequently Asked Questions

What is the IUPAC name of 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride?
The IUPAC name of 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride (CID 155940752) is 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride.
What is the SMILES notation for 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride?
The canonical SMILES for 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride is Cl.Cl.c1ncc(CN2CCC(C3CCNCC3)CC2)cn1.
What is the InChIKey of 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride?
The InChIKey is BJLFZYQXHWELSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.2ClH/c1-5-16-6-2-14(1)15-3-7-19(8-4-15)11-13-9-17-12-18-10-13;;/h9-10,12,14-16H,1-8,11H2;2*1H.
What are the key properties of 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride?
5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride has a molecular weight of 333.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride is sourced from PubChem (CID 155940752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).