1-(1-piperidin-2-ylpropan-2-yl)azocane

C15H30N2 — CID 113462116

IUPAC1-(1-piperidin-2-ylpropan-2-yl)azocane
SMILESCC(CC1CCCCN1)N1CCCCCCC1
InChIInChI=1S/C15H30N2/c1-14(13-15-9-5-6-10-16-15)17-11-7-3-2-4-8-12-17/h14-16H,2-13H2,1H3
InChIKeyBMMUNQHGTZGTQW-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds3

About 1-(1-piperidin-2-ylpropan-2-yl)azocane

1-(1-piperidin-2-ylpropan-2-yl)azocane (PubChem CID 113462116) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(1-piperidin-2-ylpropan-2-yl)azocane.

Molecular Properties

Compound Name1-(1-piperidin-2-ylpropan-2-yl)azocane
PubChem CID113462116
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(1-piperidin-2-ylpropan-2-yl)azocane
SMILESCC(CC1CCCCN1)N1CCCCCCC1
InChIInChI=1S/C15H30N2/c1-14(13-15-9-5-6-10-16-15)17-11-7-3-2-4-8-12-17/h14-16H,2-13H2,1H3
InChIKeyBMMUNQHGTZGTQW-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane
CID 135197051
4-ethoxy-1-(1-piperidin-2-ylpropan-2-yl)piperidine
CID 113462143
(2S,6R)-2,6-dimethyl-1-(1-piperidin-2-ylpropan-2-yl)piperidine
CID 104969260
(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102729049
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
1-piperidin-2-ylpropan-2-yl formate
CID 175103047
3-[2-(azetidin-1-yl)propyl]morpholine
CID 130548634
4-(2-pyrrolidin-1-ylpropyl)piperidine
CID 105450292
2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43585502
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
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(2S)-2-(3-methylbutyl)piperidine
CID 94379266

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-2-ylpropan-2-yl)azocane?
The IUPAC name of 1-(1-piperidin-2-ylpropan-2-yl)azocane (CID 113462116) is 1-(1-piperidin-2-ylpropan-2-yl)azocane.
What is the SMILES notation for 1-(1-piperidin-2-ylpropan-2-yl)azocane?
The canonical SMILES for 1-(1-piperidin-2-ylpropan-2-yl)azocane is CC(CC1CCCCN1)N1CCCCCCC1.
What is the InChIKey of 1-(1-piperidin-2-ylpropan-2-yl)azocane?
The InChIKey is BMMUNQHGTZGTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(13-15-9-5-6-10-16-15)17-11-7-3-2-4-8-12-17/h14-16H,2-13H2,1H3.
What are the key properties of 1-(1-piperidin-2-ylpropan-2-yl)azocane?
1-(1-piperidin-2-ylpropan-2-yl)azocane has a molecular weight of 238.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-2-ylpropan-2-yl)azocane is sourced from PubChem (CID 113462116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).