6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

C15H22N2 — CID 28776156

IUPAC6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1CN1CCCCC1)CCCN2
InChIInChI=1S/C15H22N2/c1-2-9-17(10-3-1)12-13-6-7-15-14(11-13)5-4-8-16-15/h6-7,11,16H,1-5,8-10,12H2
InChIKeyAXJUTTHVGMGACZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.03
Rot. Bonds2

About 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 28776156) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID28776156
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1CN1CCCCC1)CCCN2
InChIInChI=1S/C15H22N2/c1-2-9-17(10-3-1)12-13-6-7-15-14(11-13)5-4-8-16-15/h6-7,11,16H,1-5,8-10,12H2
InChIKeyAXJUTTHVGMGACZ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazepane
CID 61419750
6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 43584640
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 43581612
3-(pyrrolidin-1-ylmethyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 3048898
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 62084010

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 28776156) is 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1cc2c(cc1CN1CCCCC1)CCCN2.
What is the InChIKey of 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is AXJUTTHVGMGACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-9-17(10-3-1)12-13-6-7-15-14(11-13)5-4-8-16-15/h6-7,11,16H,1-5,8-10,12H2.
What are the key properties of 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 230.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 28776156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).