2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol

C22H34N3O+3 — CID 7325688

IUPAC2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol
SMILESOCC[NH+]1CC[NH+](C2CC[NH+](Cc3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C22H31N3O/c26-17-16-23-12-14-25(15-13-23)21-8-10-24(11-9-21)18-20-6-3-5-19-4-1-2-7-22(19)20/h1-7,21,26H,8-18H2/p+3
InChIKeySTSGHVFEXNZSMH-UHFFFAOYSA-Q
MW356.53 g/mol
LogP-1.84
Rot. Bonds5

About 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol

2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol (PubChem CID 7325688) has the molecular formula C22H34N3O+3 and a molecular weight of 356.53 g/mol. Its IUPAC name is 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol
PubChem CID7325688
Molecular FormulaC22H34N3O+3
Molecular Weight356.53 g/mol
Exact Mass356.27
IUPAC Name2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol
SMILESOCC[NH+]1CC[NH+](C2CC[NH+](Cc3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C22H31N3O/c26-17-16-23-12-14-25(15-13-23)21-8-10-24(11-9-21)18-20-6-3-5-19-4-1-2-7-22(19)20/h1-7,21,26H,8-18H2/p+3
InChIKeySTSGHVFEXNZSMH-UHFFFAOYSA-Q
XLogP-1.84
TPSA33.55 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Analyze 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol with MolForge

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Related Compounds

1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
CID 7334376
1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7325686
2-[4-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol
CID 4517289
1-[(1R,3R)-3-methylcyclohexyl]-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
CID 7344676
4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]piperidin-1-ium-1-yl]methyl]phenol
CID 6980631
1-(2-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium
CID 7101668
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
CID 6939510
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanol
CID 2223714
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888
1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 6982157
1-[(2-bromophenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 6937910
1-[(2-methylphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 7410070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol (CID 7325688) is 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol is OCC[NH+]1CC[NH+](C2CC[NH+](Cc3cccc4ccccc34)CC2)CC1.
What is the InChIKey of 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol?
The InChIKey is STSGHVFEXNZSMH-UHFFFAOYSA-Q. The full InChI is InChI=1S/C22H31N3O/c26-17-16-23-12-14-25(15-13-23)21-8-10-24(11-9-21)18-20-6-3-5-19-4-1-2-7-22(19)20/h1-7,21,26H,8-18H2/p+3.
What are the key properties of 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol?
2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol has a molecular weight of 356.53 g/mol, XLogP of -1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol is sourced from PubChem (CID 7325688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).