3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide

C11H25BrN2O2 — CID 70500350

IUPAC3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
SMILESBr.OCCCN1CCCN(CCCO)CC1
InChIInChI=1S/C11H24N2O2.BrH/c14-10-2-6-12-4-1-5-13(9-8-12)7-3-11-15;/h14-15H,1-11H2;1H
InChIKeyWBYJIQCUCIWQNZ-UHFFFAOYSA-N
MW297.24 g/mol
LogP0.34
Rot. Bonds6

About 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide

3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide (PubChem CID 70500350) has the molecular formula C11H25BrN2O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide.

Molecular Properties

Compound Name3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
PubChem CID70500350
Molecular FormulaC11H25BrN2O2
Molecular Weight297.24 g/mol
Exact Mass296.11
IUPAC Name3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
SMILESBr.OCCCN1CCCN(CCCO)CC1
InChIInChI=1S/C11H24N2O2.BrH/c14-10-2-6-12-4-1-5-13(9-8-12)7-3-11-15;/h14-15H,1-11H2;1H
InChIKeyWBYJIQCUCIWQNZ-UHFFFAOYSA-N
XLogP0.34
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[10-(3-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.3]pentadecan-4-yl]propan-1-ol
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acetylene;3-piperidin-1-ylpropan-1-ol
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2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
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6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
10-piperidin-1-yldecan-1-ol
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6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
2-(4-octyl-1,4-diazepan-1-yl)ethanol
CID 63309782
4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 138521354
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide?
The IUPAC name of 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide (CID 70500350) is 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide.
What is the SMILES notation for 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide?
The canonical SMILES for 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide is Br.OCCCN1CCCN(CCCO)CC1.
What is the InChIKey of 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide?
The InChIKey is WBYJIQCUCIWQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2.BrH/c14-10-2-6-12-4-1-5-13(9-8-12)7-3-11-15;/h14-15H,1-11H2;1H.
What are the key properties of 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide?
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide has a molecular weight of 297.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide is sourced from PubChem (CID 70500350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).