(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine

C10H18N4 — CID 116941283

IUPAC(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
SMILESCN1CCNCC1C(N)c1cc[nH]c1
InChIInChI=1S/C10H18N4/c1-14-5-4-13-7-9(14)10(11)8-2-3-12-6-8/h2-3,6,9-10,12-13H,4-5,7,11H2,1H3
InChIKeyKVXULYQCCICGCN-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.08
Rot. Bonds2

About (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine

(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine (PubChem CID 116941283) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
PubChem CID116941283
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
SMILESCN1CCNCC1C(N)c1cc[nH]c1
InChIInChI=1S/C10H18N4/c1-14-5-4-13-7-9(14)10(11)8-2-3-12-6-8/h2-3,6,9-10,12-13H,4-5,7,11H2,1H3
InChIKeyKVXULYQCCICGCN-UHFFFAOYSA-N
XLogP-0.08
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941309
(2-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941308
pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
CID 116935548
(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941250
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941246
(2-methyl-1H-indol-3-yl)-(1-methylpiperazin-2-yl)methanamine
CID 116941281
(2,5-dimethoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941249
N-methyl-1-(1-methylpiperazin-2-yl)-1-phenylmethanamine
CID 116956619
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
CID 116919723
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
CID 116936135
1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
CID 82290436
1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
CID 82283605

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine (CID 116941283) is (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine is CN1CCNCC1C(N)c1cc[nH]c1.
What is the InChIKey of (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine?
The InChIKey is KVXULYQCCICGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-5-4-13-7-9(14)10(11)8-2-3-12-6-8/h2-3,6,9-10,12-13H,4-5,7,11H2,1H3.
What are the key properties of (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine?
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine has a molecular weight of 194.28 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 116941283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).