4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine

C14H29N3O — CID 43591824

IUPAC4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
SMILESNCCCCN1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C14H29N3O/c15-6-2-3-7-16-8-10-17(11-9-16)13-14-5-1-4-12-18-14/h14H,1-13,15H2
InChIKeyKAEOOUFULJUYAQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds6

About 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine

4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine (PubChem CID 43591824) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
PubChem CID43591824
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
SMILESNCCCCN1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C14H29N3O/c15-6-2-3-7-16-8-10-17(11-9-16)13-14-5-1-4-12-18-14/h14H,1-13,15H2
InChIKeyKAEOOUFULJUYAQ-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
CID 43253069
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
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
CID 94532597
1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
1-(oxan-2-ylmethyl)piperazine
CID 14981447
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63762643
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine (CID 43591824) is 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine is NCCCCN1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine?
The InChIKey is KAEOOUFULJUYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c15-6-2-3-7-16-8-10-17(11-9-16)13-14-5-1-4-12-18-14/h14H,1-13,15H2.
What are the key properties of 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine?
4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 43591824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).