5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine

C14H29N3O — CID 43253069

IUPAC5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
SMILESNCCCCCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H29N3O/c15-6-2-1-3-7-16-8-10-17(11-9-16)13-14-5-4-12-18-14/h14H,1-13,15H2
InChIKeyIBKKOCTUFFJEDD-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds7

About 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine

5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine (PubChem CID 43253069) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
PubChem CID43253069
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
SMILESNCCCCCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H29N3O/c15-6-2-1-3-7-16-8-10-17(11-9-16)13-14-5-4-12-18-14/h14H,1-13,15H2
InChIKeyIBKKOCTUFFJEDD-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
CID 43591824
3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 16768404
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 81494206
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
6-(azetidin-1-yl)hexan-1-amine
CID 18952651

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine (CID 43253069) is 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine is NCCCCCN1CCN(CC2CCCO2)CC1.
What is the InChIKey of 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is IBKKOCTUFFJEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c15-6-2-1-3-7-16-8-10-17(11-9-16)13-14-5-4-12-18-14/h14H,1-13,15H2.
What are the key properties of 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine?
5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 43253069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).