3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

C17H27N3 — CID 106901956

IUPAC3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCN1CCN(CC2CNc3ccccc3C2)CC1
InChIInChI=1S/C17H27N3/c1-2-7-19-8-10-20(11-9-19)14-15-12-16-5-3-4-6-17(16)18-13-15/h3-6,15,18H,2,7-14H2,1H3
InChIKeyVGMMSCDIZORZDK-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.30
Rot. Bonds4

About 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106901956) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106901956
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCN1CCN(CC2CNc3ccccc3C2)CC1
InChIInChI=1S/C17H27N3/c1-2-7-19-8-10-20(11-9-19)14-15-12-16-5-3-4-6-17(16)18-13-15/h3-6,15,18H,2,7-14H2,1H3
InChIKeyVGMMSCDIZORZDK-UHFFFAOYSA-N
XLogP2.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)piperidin-4-amine
CID 106901995
3-[(4-propan-2-ylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106902225
3-[(4-methylazepan-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106902202
3-(8-azaspiro[4.5]decan-8-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106902182
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106902175
4-propyl-2,3,5,6-tetrahydro-1H-1,4-benzodiazocine
CID 117016074
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
3-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779930
4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262220

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106901956) is 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCCN1CCN(CC2CNc3ccccc3C2)CC1.
What is the InChIKey of 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is VGMMSCDIZORZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-7-19-8-10-20(11-9-19)14-15-12-16-5-3-4-6-17(16)18-13-15/h3-6,15,18H,2,7-14H2,1H3.
What are the key properties of 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106901956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).