[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine

C15H28N4O — CID 102182845

IUPAC[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCCC1)N1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C15H28N4O/c16-15(18-6-2-1-3-7-18)19-8-4-5-14(19)13-17-9-11-20-12-10-17/h14,16H,1-13H2/b16-15+/t14-/m0/s1
InChIKeyQFTHWVRITXLXGQ-BSZDNMLHSA-N
MW280.42 g/mol
LogP1.20
Rot. Bonds2

About [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine

[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine (PubChem CID 102182845) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine
PubChem CID102182845
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCCC1)N1CCC[C@H]1CN1CCOCC1
InChIInChI=1S/C15H28N4O/c16-15(18-6-2-1-3-7-18)19-8-4-5-14(19)13-17-9-11-20-12-10-17/h14,16H,1-13H2/b16-15+/t14-/m0/s1
InChIKeyQFTHWVRITXLXGQ-BSZDNMLHSA-N
XLogP1.20
TPSA42.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Morpholinopiperidine-1-carboxamidine
CID 379859
[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanimine
CID 102182838
morpholin-4-yl-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanimine
CID 102182840
morpholin-4-yl-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
CID 102182841
morpholin-4-yl-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanimine
CID 102182843
triethyl-[[1-[(E)-N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 58529161
triethyl-[[1-[N'-[N-methyl-N-[4-(4-methylmorpholin-4-ium-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 67985975
N-methyl-N-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide
CID 118137254
triethyl-[[1-[N'-[N-methyl-N-[4-(3-methylmorpholin-4-yl)butyl]carbamimidoyl]carbamimidoyl]pyrrolidin-2-yl]methyl]azanium
CID 123600864
bis[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanimine
CID 11501486
3-Morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63175263
N'-cyclohexyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 63532328

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine?
The IUPAC name of [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine (CID 102182845) is [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine.
What is the SMILES notation for [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine?
The canonical SMILES for [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine is [H]/N=C(\N1CCCCC1)N1CCC[C@H]1CN1CCOCC1.
What is the InChIKey of [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine?
The InChIKey is QFTHWVRITXLXGQ-BSZDNMLHSA-N. The full InChI is InChI=1S/C15H28N4O/c16-15(18-6-2-1-3-7-18)19-8-4-5-14(19)13-17-9-11-20-12-10-17/h14,16H,1-13H2/b16-15+/t14-/m0/s1.
What are the key properties of [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine?
[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine has a molecular weight of 280.42 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-piperidin-1-ylmethanimine is sourced from PubChem (CID 102182845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).