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

C11H24ClN3 — CID 130701604

IUPAC[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1C[C@@H]1CCCN1
InChIInChI=1S/C11H23N3.ClH/c12-8-11-5-1-2-7-14(11)9-10-4-3-6-13-10;/h10-11,13H,1-9,12H2;1H/t10-,11?;/m0./s1
InChIKeyDLYNGEYWZHCWPQ-JMFXEUCVSA-N
MW233.79 g/mol
LogP0.97
Rot. Bonds3

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

[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 130701604) has the molecular formula C11H24ClN3 and a molecular weight of 233.79 g/mol. Its IUPAC name is [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID130701604
Molecular FormulaC11H24ClN3
Molecular Weight233.79 g/mol
Exact Mass233.17
IUPAC Name[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1C[C@@H]1CCCN1
InChIInChI=1S/C11H23N3.ClH/c12-8-11-5-1-2-7-14(11)9-10-4-3-6-13-10;/h10-11,13H,1-9,12H2;1H/t10-,11?;/m0./s1
InChIKeyDLYNGEYWZHCWPQ-JMFXEUCVSA-N
XLogP0.97
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.79
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 124678521
2-methyl-1-(pyrrolidin-2-ylmethyl)piperidine;dihydrochloride
CID 56831768
[(2S)-1-[[(2S)-piperidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 130765394
2-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 13397234
2-cyclopentyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819466
[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
[(2R)-piperidin-2-yl]methanamine;hydrochloride
CID 70654045
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
CID 130690026
1-[[(2S)-pyrrolidin-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 104870161
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
CID 43591930
1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320906

Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride (CID 130701604) is [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1C[C@@H]1CCCN1.
What is the InChIKey of [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is DLYNGEYWZHCWPQ-JMFXEUCVSA-N. The full InChI is InChI=1S/C11H23N3.ClH/c12-8-11-5-1-2-7-14(11)9-10-4-3-6-13-10;/h10-11,13H,1-9,12H2;1H/t10-,11?;/m0./s1.
What are the key properties of [1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 233.79 g/mol, XLogP of 0.97, 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-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 130701604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).