4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine

C19H37N3O — CID 123927561

IUPAC4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine
SMILESCCCC1CN(CCC)CC(N)C1C1CCN(C2COC2)CC1
InChIInChI=1S/C19H37N3O/c1-3-5-16-11-21(8-4-2)12-18(20)19(16)15-6-9-22(10-7-15)17-13-23-14-17/h15-19H,3-14,20H2,1-2H3
InChIKeyNJNFQOTYWULKRJ-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.18
Rot. Bonds6

About 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine

4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine (PubChem CID 123927561) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine.

Molecular Properties

Compound Name4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine
PubChem CID123927561
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine
SMILESCCCC1CN(CCC)CC(N)C1C1CCN(C2COC2)CC1
InChIInChI=1S/C19H37N3O/c1-3-5-16-11-21(8-4-2)12-18(20)19(16)15-6-9-22(10-7-15)17-13-23-14-17/h15-19H,3-14,20H2,1-2H3
InChIKeyNJNFQOTYWULKRJ-UHFFFAOYSA-N
XLogP2.18
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Tert-butylcyclohexyl)[2-(4-morpholinyl)ethyl]amine
CID 758268
5-[2-(4,4-difluoro-3-methylpiperidin-1-yl)propyl]-4,4-difluoro-N-methyl-1-(oxetan-3-yl)piperidin-3-amine
CID 162618218
4-(3-Cyclohexyl-2-piperazin-1-ylpropyl)morpholine
CID 58786730
1-(Oxetan-3-yl)-4,4-bipiperidine
CID 90421591
4-[1-(Oxetan-3-yl)piperidin-4-yl]piperidin-3-amine
CID 140644028
(2R)-2-methyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709121
1-(3-Methyloxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709124
(2S)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709140
(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709152
(2R)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709158
(3R)-1,3-dimethylpiperidine;1-(2-methoxyethyl)piperidin-3-amine
CID 145119192
1-[2-Methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine
CID 146558709

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine?
The IUPAC name of 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine (CID 123927561) is 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine.
What is the SMILES notation for 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine?
The canonical SMILES for 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine is CCCC1CN(CCC)CC(N)C1C1CCN(C2COC2)CC1.
What is the InChIKey of 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine?
The InChIKey is NJNFQOTYWULKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-3-5-16-11-21(8-4-2)12-18(20)19(16)15-6-9-22(10-7-15)17-13-23-14-17/h15-19H,3-14,20H2,1-2H3.
What are the key properties of 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine?
4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine has a molecular weight of 323.53 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxetan-3-yl)piperidin-4-yl]-1,5-dipropylpiperidin-3-amine is sourced from PubChem (CID 123927561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).