1-(6-piperidin-1-ylhexyl)piperidine bromide

C16H32BrN2- — CID 53351438

IUPAC1-(6-piperidin-1-ylhexyl)piperidine bromide
SMILESC(CCCN1CCCCC1)CCN1CCCCC1.[Br-]
InChIInChI=1S/C16H32N2.BrH/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-16H2;1H/p-1
InChIKeyMHZYQDRHIMMLSS-UHFFFAOYSA-M
MW332.35 g/mol
LogP0.52
Rot. Bonds7

About 1-(6-piperidin-1-ylhexyl)piperidine bromide

1-(6-piperidin-1-ylhexyl)piperidine bromide (PubChem CID 53351438) has the molecular formula C16H32BrN2- and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(6-piperidin-1-ylhexyl)piperidine bromide.

Molecular Properties

Compound Name1-(6-piperidin-1-ylhexyl)piperidine bromide
PubChem CID53351438
Molecular FormulaC16H32BrN2-
Molecular Weight332.35 g/mol
Exact Mass331.18
IUPAC Name1-(6-piperidin-1-ylhexyl)piperidine bromide
SMILESC(CCCN1CCCCC1)CCN1CCCCC1.[Br-]
InChIInChI=1S/C16H32N2.BrH/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-16H2;1H/p-1
InChIKeyMHZYQDRHIMMLSS-UHFFFAOYSA-M
XLogP0.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
1-dodecylazepane
CID 3366129
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
lithium 1-octylazepane
CID 22743290
CID 162323144
CID 162323144
1-tetradecylpiperidine;hydrochloride
CID 71325293
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490

Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-1-ylhexyl)piperidine bromide?
The IUPAC name of 1-(6-piperidin-1-ylhexyl)piperidine bromide (CID 53351438) is 1-(6-piperidin-1-ylhexyl)piperidine bromide.
What is the SMILES notation for 1-(6-piperidin-1-ylhexyl)piperidine bromide?
The canonical SMILES for 1-(6-piperidin-1-ylhexyl)piperidine bromide is C(CCCN1CCCCC1)CCN1CCCCC1.[Br-].
What is the InChIKey of 1-(6-piperidin-1-ylhexyl)piperidine bromide?
The InChIKey is MHZYQDRHIMMLSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32N2.BrH/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-16H2;1H/p-1.
What are the key properties of 1-(6-piperidin-1-ylhexyl)piperidine bromide?
1-(6-piperidin-1-ylhexyl)piperidine bromide has a molecular weight of 332.35 g/mol, XLogP of 0.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-ylhexyl)piperidine bromide is sourced from PubChem (CID 53351438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).