1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine

C22H29N4+ — CID 57267680

IUPAC1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine
SMILESc1ccc(C[N+]2(NNCCc3c[nH]c4ccccc34)CCCCC2)cc1
InChIInChI=1S/C22H29N4/c1-3-9-19(10-4-1)18-26(15-7-2-8-16-26)25-24-14-13-20-17-23-22-12-6-5-11-21(20)22/h1,3-6,9-12,17,23-25H,2,7-8,13-16,18H2/q+1
InChIKeyBIHVASIZSIYFPC-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.92
Rot. Bonds7

About 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine

1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine (PubChem CID 57267680) has the molecular formula C22H29N4+ and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine
PubChem CID57267680
Molecular FormulaC22H29N4+
Molecular Weight349.50 g/mol
Exact Mass349.24
IUPAC Name1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine
SMILESc1ccc(C[N+]2(NNCCc3c[nH]c4ccccc34)CCCCC2)cc1
InChIInChI=1S/C22H29N4/c1-3-9-19(10-4-1)18-26(15-7-2-8-16-26)25-24-14-13-20-17-23-22-12-6-5-11-21(20)22/h1,3-6,9-12,17,23-25H,2,7-8,13-16,18H2/q+1
InChIKeyBIHVASIZSIYFPC-UHFFFAOYSA-N
XLogP3.92
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride
CID 158104456
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-benzhydryl-2-(1H-indol-3-yl)ethanamine
CID 101231581
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine?
The IUPAC name of 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine (CID 57267680) is 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine.
What is the SMILES notation for 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine?
The canonical SMILES for 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine is c1ccc(C[N+]2(NNCCc3c[nH]c4ccccc34)CCCCC2)cc1.
What is the InChIKey of 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine?
The InChIKey is BIHVASIZSIYFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N4/c1-3-9-19(10-4-1)18-26(15-7-2-8-16-26)25-24-14-13-20-17-23-22-12-6-5-11-21(20)22/h1,3-6,9-12,17,23-25H,2,7-8,13-16,18H2/q+1.
What are the key properties of 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine?
1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine has a molecular weight of 349.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-1-ium-1-yl)-2-[2-(1H-indol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 57267680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).