1-(1-methylpiperidin-3-yl)butane-1,4-diamine

C10H23N3 — CID 116933806

IUPAC1-(1-methylpiperidin-3-yl)butane-1,4-diamine
SMILESCN1CCCC(C(N)CCCN)C1
InChIInChI=1S/C10H23N3/c1-13-7-3-4-9(8-13)10(12)5-2-6-11/h9-10H,2-8,11-12H2,1H3
InChIKeyJWFGQCBCHPLEFA-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.39
Rot. Bonds4

About 1-(1-methylpiperidin-3-yl)butane-1,4-diamine

1-(1-methylpiperidin-3-yl)butane-1,4-diamine (PubChem CID 116933806) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)butane-1,4-diamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)butane-1,4-diamine
PubChem CID116933806
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-(1-methylpiperidin-3-yl)butane-1,4-diamine
SMILESCN1CCCC(C(N)CCCN)C1
InChIInChI=1S/C10H23N3/c1-13-7-3-4-9(8-13)10(12)5-2-6-11/h9-10H,2-8,11-12H2,1H3
InChIKeyJWFGQCBCHPLEFA-UHFFFAOYSA-N
XLogP0.39
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
3-methoxy-3-(1-methylpiperidin-3-yl)propan-1-amine
CID 105442328
2-(1-methylpiperidin-3-yl)-2-pyrrolidin-1-ylethanamine
CID 165347854
4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine
CID 115022101
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 124668280
acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine
CID 145244362
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine
CID 116949940
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)butane-1,4-diamine (CID 116933806) is 1-(1-methylpiperidin-3-yl)butane-1,4-diamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)butane-1,4-diamine is CN1CCCC(C(N)CCCN)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)butane-1,4-diamine?
The InChIKey is JWFGQCBCHPLEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-13-7-3-4-9(8-13)10(12)5-2-6-11/h9-10H,2-8,11-12H2,1H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)butane-1,4-diamine?
1-(1-methylpiperidin-3-yl)butane-1,4-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)butane-1,4-diamine is sourced from PubChem (CID 116933806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).