(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride

C9H20Cl2N2O — CID 122235803

IUPAC(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C9H18N2O.2ClH/c10-8-6-12-7-9(8)11-4-2-1-3-5-11;;/h8-9H,1-7,10H2;2*1H/t8-,9-;;/m1../s1
InChIKeyMAIIJKAMBNKIRT-UONRGADFSA-N
MW243.18 g/mol
LogP1.04
Rot. Bonds1

About (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride

(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride (PubChem CID 122235803) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride
PubChem CID122235803
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C9H18N2O.2ClH/c10-8-6-12-7-9(8)11-4-2-1-3-5-11;;/h8-9H,1-7,10H2;2*1H/t8-,9-;;/m1../s1
InChIKeyMAIIJKAMBNKIRT-UONRGADFSA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-piperidin-1-yloxan-3-amine
CID 67361386
2-(azepan-1-yl)cyclopropan-1-amine
CID 79671286
2-pyrrolidin-1-ylcyclopropan-1-amine
CID 79670204
(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 66680564
trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
CID 130759718
ethane;1-(oxetan-3-yl)piperidine
CID 170574433
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine
CID 79938355
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
1-(oxiran-2-yl)piperidine
CID 19935661
(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol
CID 126846710
2-(azocan-1-yl)-4-methylcyclohexan-1-amine
CID 43211884

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride?
The IUPAC name of (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride (CID 122235803) is (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride.
What is the SMILES notation for (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride?
The canonical SMILES for (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride is Cl.Cl.N[C@@H]1COC[C@H]1N1CCCCC1.
What is the InChIKey of (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride?
The InChIKey is MAIIJKAMBNKIRT-UONRGADFSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c10-8-6-12-7-9(8)11-4-2-1-3-5-11;;/h8-9H,1-7,10H2;2*1H/t8-,9-;;/m1../s1.
What are the key properties of (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride?
(3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-piperidin-1-yloxolan-3-amine;dihydrochloride is sourced from PubChem (CID 122235803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).