2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline

C15H19N3 — CID 113345872

IUPAC2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
SMILESC[C@@H]1CN(Cc2ccc3ccccc3n2)CCN1
InChIInChI=1S/C15H19N3/c1-12-10-18(9-8-16-12)11-14-7-6-13-4-2-3-5-15(13)17-14/h2-7,12,16H,8-11H2,1H3/t12-/m1/s1
InChIKeyYKXMVPKHGIFFFD-GFCCVEGCSA-N
MW241.34 g/mol
LogP2.03
Rot. Bonds2

About 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline

2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline (PubChem CID 113345872) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
PubChem CID113345872
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
SMILESC[C@@H]1CN(Cc2ccc3ccccc3n2)CCN1
InChIInChI=1S/C15H19N3/c1-12-10-18(9-8-16-12)11-14-7-6-13-4-2-3-5-15(13)17-14/h2-7,12,16H,8-11H2,1H3/t12-/m1/s1
InChIKeyYKXMVPKHGIFFFD-GFCCVEGCSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
CID 64858401
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
2-(1,4-diazepan-1-ylmethyl)quinoline
CID 15941168
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 65449608
2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline
CID 64846709
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline?
The IUPAC name of 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline (CID 113345872) is 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline is C[C@@H]1CN(Cc2ccc3ccccc3n2)CCN1.
What is the InChIKey of 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline?
The InChIKey is YKXMVPKHGIFFFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-10-18(9-8-16-12)11-14-7-6-13-4-2-3-5-15(13)17-14/h2-7,12,16H,8-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline?
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline has a molecular weight of 241.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 113345872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).