1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine

C11H23N3 — CID 106021248

IUPAC1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine
SMILESCN1CCCC1CN1CCCC(N)C1
InChIInChI=1S/C11H23N3/c1-13-6-3-5-11(13)9-14-7-2-4-10(12)8-14/h10-11H,2-9,12H2,1H3
InChIKeyRDNNEMDFMBZQHX-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.50
Rot. Bonds2

About 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine

1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine (PubChem CID 106021248) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine
PubChem CID106021248
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine
SMILESCN1CCCC1CN1CCCC(N)C1
InChIInChI=1S/C11H23N3/c1-13-6-3-5-11(13)9-14-7-2-4-10(12)8-14/h10-11H,2-9,12H2,1H3
InChIKeyRDNNEMDFMBZQHX-UHFFFAOYSA-N
XLogP0.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol
CID 127014895
N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 106019257
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-(2-bromoethyl)piperidin-3-amine
CID 130905726
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-amine
CID 63896354
(3R)-1-[(3-methylcyclohexyl)methyl]piperidin-3-amine;hydrochloride
CID 120845899
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64951928
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
1-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazine
CID 51614709
1-(oxan-3-ylmethyl)piperidin-3-amine
CID 63741135

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine (CID 106021248) is 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine is CN1CCCC1CN1CCCC(N)C1.
What is the InChIKey of 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine?
The InChIKey is RDNNEMDFMBZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13-6-3-5-11(13)9-14-7-2-4-10(12)8-14/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine?
1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine has a molecular weight of 197.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 106021248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).