(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine

C11H23N3 — CID 116935927

IUPAC(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine
SMILESCN1CCC(C(N)C2CCNCC2)C1
InChIInChI=1S/C11H23N3/c1-14-7-4-10(8-14)11(12)9-2-5-13-6-3-9/h9-11,13H,2-8,12H2,1H3
InChIKeyRWHQZSRNCSQAIL-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.26
Rot. Bonds2

About (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine

(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine (PubChem CID 116935927) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine
PubChem CID116935927
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine
SMILESCN1CCC(C(N)C2CCNCC2)C1
InChIInChI=1S/C11H23N3/c1-14-7-4-10(8-14)11(12)9-2-5-13-6-3-9/h9-11,13H,2-8,12H2,1H3
InChIKeyRWHQZSRNCSQAIL-UHFFFAOYSA-N
XLogP0.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpiperazin-2-yl)-(1-methylpyrrolidin-3-yl)methanamine
CID 116941333
2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
CID 116946834
methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
CID 116825136
2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 164659550
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
CID 57188850
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid
CID 116825117
1-(azetidin-3-yl)-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 116950852
N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine
CID 116911286

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine?
The IUPAC name of (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine (CID 116935927) is (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine?
The canonical SMILES for (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine is CN1CCC(C(N)C2CCNCC2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine?
The InChIKey is RWHQZSRNCSQAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-14-7-4-10(8-14)11(12)9-2-5-13-6-3-9/h9-11,13H,2-8,12H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine?
(1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine has a molecular weight of 197.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 116935927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).