4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine

C9H15N3 — CID 130642125

IUPAC4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine
SMILESNc1c[nH]cc1[C@@H]1CCCCN1
InChIInChI=1S/C9H15N3/c10-8-6-11-5-7(8)9-3-1-2-4-12-9/h5-6,9,11-12H,1-4,10H2/t9-/m0/s1
InChIKeyFJKQYAOODXSCAA-VIFPVBQESA-N
MW165.24 g/mol
LogP1.41
Rot. Bonds1

About 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine

4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine (PubChem CID 130642125) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine.

Molecular Properties

Compound Name4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine
PubChem CID130642125
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine
SMILESNc1c[nH]cc1[C@@H]1CCCCN1
InChIInChI=1S/C9H15N3/c10-8-6-11-5-7(8)9-3-1-2-4-12-9/h5-6,9,11-12H,1-4,10H2/t9-/m0/s1
InChIKeyFJKQYAOODXSCAA-VIFPVBQESA-N
XLogP1.41
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
CID 55296112
2,5-dimethyl-4-piperidin-2-ylaniline
CID 58255114
3-[(2S)-piperidin-2-yl]thiophen-2-amine
CID 130664785
2,3-dichloro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66519208
2-chloro-5-[(2R)-piperidin-2-yl]pyridin-4-amine
CID 130783796
5-piperidin-2-yl-1,2-oxazol-4-amine
CID 115093519
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
2,4-dihydroxy-5-piperidin-2-ylbenzoic acid
CID 117346375
2-(2-cyclopentylphenyl)piperidine
CID 115005914
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
5-piperidin-2-yl-1H-pyrimidine-2,4-dione
CID 115020167
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine?
The IUPAC name of 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine (CID 130642125) is 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine.
What is the SMILES notation for 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine?
The canonical SMILES for 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine is Nc1c[nH]cc1[C@@H]1CCCCN1.
What is the InChIKey of 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine?
The InChIKey is FJKQYAOODXSCAA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3/c10-8-6-11-5-7(8)9-3-1-2-4-12-9/h5-6,9,11-12H,1-4,10H2/t9-/m0/s1.
What are the key properties of 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine?
4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine has a molecular weight of 165.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine is sourced from PubChem (CID 130642125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).