[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine

C11H23N3 — CID 130690026

IUPAC[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(C[C@@H]2CCCN2)CC1
InChIInChI=1S/C11H23N3/c12-8-10-3-6-14(7-4-10)9-11-2-1-5-13-11/h10-11,13H,1-9,12H2/t11-/m0/s1
InChIKeyXYWNPQXUMRCSRA-NSHDSACASA-N
MW197.33 g/mol
LogP0.41
Rot. Bonds3

About [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine

[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine (PubChem CID 130690026) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
PubChem CID130690026
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(C[C@@H]2CCCN2)CC1
InChIInChI=1S/C11H23N3/c12-8-10-3-6-14(7-4-10)9-11-2-1-5-13-11/h10-11,13H,1-9,12H2/t11-/m0/s1
InChIKeyXYWNPQXUMRCSRA-NSHDSACASA-N
XLogP0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine
CID 63971924
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
4-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 103495902
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
3-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 64598334
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 164658028
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421

Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine (CID 130690026) is [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine is NCC1CCN(C[C@@H]2CCCN2)CC1.
What is the InChIKey of [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine?
The InChIKey is XYWNPQXUMRCSRA-NSHDSACASA-N. The full InChI is InChI=1S/C11H23N3/c12-8-10-3-6-14(7-4-10)9-11-2-1-5-13-11/h10-11,13H,1-9,12H2/t11-/m0/s1.
What are the key properties of [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine?
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine has a molecular weight of 197.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 130690026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).