1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole

C21H31N3 — CID 70708046

IUPAC1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole
SMILESCn1ccc2ccc(CN3CCC(CN4CCCCC4)CC3)cc21
InChIInChI=1S/C21H31N3/c1-22-12-9-20-6-5-19(15-21(20)22)17-24-13-7-18(8-14-24)16-23-10-3-2-4-11-23/h5-6,9,12,15,18H,2-4,7-8,10-11,13-14,16-17H2,1H3
InChIKeyXZHCFQPSWDPECB-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.88
Rot. Bonds4

About 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole

1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole (PubChem CID 70708046) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole
PubChem CID70708046
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole
SMILESCn1ccc2ccc(CN3CCC(CN4CCCCC4)CC3)cc21
InChIInChI=1S/C21H31N3/c1-22-12-9-20-6-5-19(15-21(20)22)17-24-13-7-18(8-14-24)16-23-10-3-2-4-11-23/h5-6,9,12,15,18H,2-4,7-8,10-11,13-14,16-17H2,1H3
InChIKeyXZHCFQPSWDPECB-UHFFFAOYSA-N
XLogP3.88
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole?
The IUPAC name of 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole (CID 70708046) is 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole.
What is the SMILES notation for 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole?
The canonical SMILES for 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole is Cn1ccc2ccc(CN3CCC(CN4CCCCC4)CC3)cc21.
What is the InChIKey of 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole?
The InChIKey is XZHCFQPSWDPECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-22-12-9-20-6-5-19(15-21(20)22)17-24-13-7-18(8-14-24)16-23-10-3-2-4-11-23/h5-6,9,12,15,18H,2-4,7-8,10-11,13-14,16-17H2,1H3.
What are the key properties of 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole?
1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole has a molecular weight of 325.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]indole is sourced from PubChem (CID 70708046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).