2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride

C19H28ClN3 — CID 119931465

IUPAC2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
SMILESCl.c1ccc2[nH]c(C3CCCCN3CC3CCNCC3)cc2c1
InChIInChI=1S/C19H27N3.ClH/c1-2-6-17-16(5-1)13-18(21-17)19-7-3-4-12-22(19)14-15-8-10-20-11-9-15;/h1-2,5-6,13,15,19-21H,3-4,7-12,14H2;1H
InChIKeySEBFPCXJJYBNPF-UHFFFAOYSA-N
MW333.91 g/mol
LogP4.12
Rot. Bonds3

About 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride

2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride (PubChem CID 119931465) has the molecular formula C19H28ClN3 and a molecular weight of 333.91 g/mol. Its IUPAC name is 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
PubChem CID119931465
Molecular FormulaC19H28ClN3
Molecular Weight333.91 g/mol
Exact Mass333.20
IUPAC Name2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
SMILESCl.c1ccc2[nH]c(C3CCCCN3CC3CCNCC3)cc2c1
InChIInChI=1S/C19H27N3.ClH/c1-2-6-17-16(5-1)13-18(21-17)19-7-3-4-12-22(19)14-15-8-10-20-11-9-15;/h1-2,5-6,13,15,19-21H,3-4,7-12,14H2;1H
InChIKeySEBFPCXJJYBNPF-UHFFFAOYSA-N
XLogP4.12
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.91
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-(piperidin-4-ylmethyl)piperidine
CID 120847720
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976743
(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 124777878
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]-1H-indole
CID 95344808
2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole
CID 146096191
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95322772
[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119776619

Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride?
The IUPAC name of 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride (CID 119931465) is 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride.
What is the SMILES notation for 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride?
The canonical SMILES for 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride is Cl.c1ccc2[nH]c(C3CCCCN3CC3CCNCC3)cc2c1.
What is the InChIKey of 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride?
The InChIKey is SEBFPCXJJYBNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3.ClH/c1-2-6-17-16(5-1)13-18(21-17)19-7-3-4-12-22(19)14-15-8-10-20-11-9-15;/h1-2,5-6,13,15,19-21H,3-4,7-12,14H2;1H.
What are the key properties of 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride?
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride has a molecular weight of 333.91 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride is sourced from PubChem (CID 119931465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).