4-piperidin-1-ylbutane-1,2-diamine

C9H21N3 — CID 68919851

IUPAC4-piperidin-1-ylbutane-1,2-diamine
SMILESNCC(N)CCN1CCCCC1
InChIInChI=1S/C9H21N3/c10-8-9(11)4-7-12-5-2-1-3-6-12/h9H,1-8,10-11H2
InChIKeyYVBIFLNRDLPGPV-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.15
Rot. Bonds4

About 4-piperidin-1-ylbutane-1,2-diamine

4-piperidin-1-ylbutane-1,2-diamine (PubChem CID 68919851) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 4-piperidin-1-ylbutane-1,2-diamine.

Molecular Properties

Compound Name4-piperidin-1-ylbutane-1,2-diamine
PubChem CID68919851
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name4-piperidin-1-ylbutane-1,2-diamine
SMILESNCC(N)CCN1CCCCC1
InChIInChI=1S/C9H21N3/c10-8-9(11)4-7-12-5-2-1-3-6-12/h9H,1-8,10-11H2
InChIKeyYVBIFLNRDLPGPV-UHFFFAOYSA-N
XLogP0.15
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-morpholin-4-ylbutane-1,2-diamine
CID 154463097
4-(azetidin-1-yl)-2-methylbutan-1-amine
CID 130547472
6-(azepan-1-yl)hexan-3-amine
CID 106799199
6-piperidin-1-ylhexan-3-amine
CID 106799210
methane;2-piperidin-1-ylethanamine
CID 158303452
(2R)-1-phenylsulfanyl-4-piperidin-1-ylbutan-2-amine
CID 71503885
2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
CID 63072558
2-[2-[4-[4-amino-3-(aminomethyl)butyl]piperazin-1-yl]ethyl]propane-1,3-diamine
CID 68736626
2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
CID 64791262
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbutane-1,2-diamine?
The IUPAC name of 4-piperidin-1-ylbutane-1,2-diamine (CID 68919851) is 4-piperidin-1-ylbutane-1,2-diamine.
What is the SMILES notation for 4-piperidin-1-ylbutane-1,2-diamine?
The canonical SMILES for 4-piperidin-1-ylbutane-1,2-diamine is NCC(N)CCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbutane-1,2-diamine?
The InChIKey is YVBIFLNRDLPGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c10-8-9(11)4-7-12-5-2-1-3-6-12/h9H,1-8,10-11H2.
What are the key properties of 4-piperidin-1-ylbutane-1,2-diamine?
4-piperidin-1-ylbutane-1,2-diamine has a molecular weight of 171.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutane-1,2-diamine is sourced from PubChem (CID 68919851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).