N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride

C13H28Cl2N2O — CID 154890824

IUPACN-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride
SMILESC(CCC1CCCO1)CNC1CCNCC1.Cl.Cl
InChIInChI=1S/C13H26N2O.2ClH/c1(4-13-5-3-11-16-13)2-8-15-12-6-9-14-10-7-12;;/h12-15H,1-11H2;2*1H
InChIKeyWPJGUVNSRIVHML-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.52
Rot. Bonds6

About N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride

N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride (PubChem CID 154890824) has the molecular formula C13H28Cl2N2O and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride
PubChem CID154890824
Molecular FormulaC13H28Cl2N2O
Molecular Weight299.29 g/mol
Exact Mass298.16
IUPAC NameN-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride
SMILESC(CCC1CCCO1)CNC1CCNCC1.Cl.Cl
InChIInChI=1S/C13H26N2O.2ClH/c1(4-13-5-3-11-16-13)2-8-15-12-6-9-14-10-7-12;;/h12-15H,1-11H2;2*1H
InChIKeyWPJGUVNSRIVHML-UHFFFAOYSA-N
XLogP2.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(oxan-2-yl)propyl]oxan-4-amine
CID 104627077
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65163773
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
N-(3-piperidin-4-ylpropyl)cyclobutanamine
CID 62415783
5-(azepan-4-ylamino)pentan-1-ol
CID 107316728
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
CID 97206452
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
2-tetradecyloxolane
CID 10683364

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride (CID 154890824) is N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride is C(CCC1CCCO1)CNC1CCNCC1.Cl.Cl.
What is the InChIKey of N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride?
The InChIKey is WPJGUVNSRIVHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.2ClH/c1(4-13-5-3-11-16-13)2-8-15-12-6-9-14-10-7-12;;/h12-15H,1-11H2;2*1H.
What are the key properties of N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride?
N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride has a molecular weight of 299.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 154890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).