N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen

C12H28N2 — CID 143678489

IUPACN-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
SMILESCCCCN1CCC(CNCC)CC1.[H][H]
InChIInChI=1S/C12H26N2.H2/c1-3-5-8-14-9-6-12(7-10-14)11-13-4-2;/h12-13H,3-11H2,1-2H3;1H
InChIKeyAGXBWGKLHQVYHN-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds6

About N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen

N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen (PubChem CID 143678489) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen.

Molecular Properties

Compound NameN-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
PubChem CID143678489
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
SMILESCCCCN1CCC(CNCC)CC1.[H][H]
InChIInChI=1S/C12H26N2.H2/c1-3-5-8-14-9-6-12(7-10-14)11-13-4-2;/h12-13H,3-11H2,1-2H3;1H
InChIKeyAGXBWGKLHQVYHN-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen 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

4-Methylpiperidine
CID 69381
4-Ethylpiperidine
CID 76704
4-Propylpiperidine
CID 31169
4-(Aminomethyl)piperidine
CID 23527
Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
Piperidine, 4-(1,1-dimethylethyl)-
CID 74661
1-Methylpiperidine-4-methylamine
CID 81574
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
Piperidine, 4-(1-methylethyl)-
CID 140569
3-(Propan-2-yl)piperidine
CID 541786
3-Propylpiperidine
CID 114550

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen?
The IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen (CID 143678489) is N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen.
What is the SMILES notation for N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen?
The canonical SMILES for N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen is CCCCN1CCC(CNCC)CC1.[H][H].
What is the InChIKey of N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen?
The InChIKey is AGXBWGKLHQVYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.H2/c1-3-5-8-14-9-6-12(7-10-14)11-13-4-2;/h12-13H,3-11H2,1-2H3;1H.
What are the key properties of N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen?
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen has a molecular weight of 200.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen is sourced from PubChem (CID 143678489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).