(3R)-3-(3H-pyrrol-3-ylmethyl)piperidine

C10H16N2 — CID 59042590

IUPAC(3R)-3-(3H-pyrrol-3-ylmethyl)piperidine
SMILESC1=CC(C[C@H]2CCCNC2)C=N1
InChIInChI=1S/C10H16N2/c1-2-9(7-11-4-1)6-10-3-5-12-8-10/h3,5,8-11H,1-2,4,6-7H2/t9-,10?/m1/s1
InChIKeyNMTYUEROZVJUGS-YHMJZVADSA-N
MW164.25 g/mol
LogP1.59
Rot. Bonds2

About (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine

(3R)-3-(3H-pyrrol-3-ylmethyl)piperidine (PubChem CID 59042590) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(3H-pyrrol-3-ylmethyl)piperidine
PubChem CID59042590
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3R)-3-(3H-pyrrol-3-ylmethyl)piperidine
SMILESC1=CC(C[C@H]2CCCNC2)C=N1
InChIInChI=1S/C10H16N2/c1-2-9(7-11-4-1)6-10-3-5-12-8-10/h3,5,8-11H,1-2,4,6-7H2/t9-,10?/m1/s1
InChIKeyNMTYUEROZVJUGS-YHMJZVADSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3H-pyrrol-3-ylmethyl)piperidine
CID 18712976
2-(3,4-dihydropyridin-4-yl)-N-ethylethanamine
CID 89305746
1,2,3,4,4a,8a-Hexahydro-1,6-naphthyridine
CID 90715878
2,9-Diazaspiro[5.5]undeca-8,10-diene
CID 91614533
4-(2,3-dihydro-1H-pyrrol-2-yl)-2-methyl-2,3,4,5-tetrahydropyridine
CID 121358163
3-(2,3,4,5-Tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine
CID 134174563
N-ethenyl-4-(5-ethenylpiperidin-3-yl)butan-1-amine
CID 134570214
N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine
CID 135265059
1,2,3,4,4a,8a-Hexahydro-1,7-naphthyridine
CID 141037142
4-[2-(3,4-dihydropyridin-3-yl)ethyl]-2,3,6,7-tetrahydro-1H-azepine
CID 143703212
N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)butan-1-imine
CID 154927210
N-ethenyl-5-(methyliminomethyl)oct-7-en-1-amine
CID 156415922

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine?
The IUPAC name of (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine (CID 59042590) is (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine.
What is the SMILES notation for (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine?
The canonical SMILES for (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine is C1=CC(C[C@H]2CCCNC2)C=N1.
What is the InChIKey of (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine?
The InChIKey is NMTYUEROZVJUGS-YHMJZVADSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-9(7-11-4-1)6-10-3-5-12-8-10/h3,5,8-11H,1-2,4,6-7H2/t9-,10?/m1/s1.
What are the key properties of (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine?
(3R)-3-(3H-pyrrol-3-ylmethyl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3H-pyrrol-3-ylmethyl)piperidine is sourced from PubChem (CID 59042590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).