3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine

C13H22N4 — CID 62472253

IUPAC3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCC(C)N1CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C13H22N4/c1-11(2)17-8-6-16(7-9-17)10-12-4-3-5-15-13(12)14/h3-5,11H,6-10H2,1-2H3,(H2,14,15)
InChIKeyMPVQTPRFHLNVSI-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.19
Rot. Bonds3

About 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine

3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 62472253) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID62472253
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCC(C)N1CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C13H22N4/c1-11(2)17-8-6-16(7-9-17)10-12-4-3-5-15-13(12)14/h3-5,11H,6-10H2,1-2H3,(H2,14,15)
InChIKeyMPVQTPRFHLNVSI-UHFFFAOYSA-N
XLogP1.19
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55116433
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270
3-[[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 70753604
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471359
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862
3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 114539469
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-4-piperidin-1-ylpentan-1-one
CID 134699706
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine (CID 62472253) is 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine is CC(C)N1CCN(Cc2cccnc2N)CC1.
What is the InChIKey of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is MPVQTPRFHLNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)17-8-6-16(7-9-17)10-12-4-3-5-15-13(12)14/h3-5,11H,6-10H2,1-2H3,(H2,14,15).
What are the key properties of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine?
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62472253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).