4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine

C18H29N5O — CID 97318478

IUPAC4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
SMILESc1cc(N2CCCC2)nc(N2CCC[C@@H](CN3CCOCC3)C2)n1
InChIInChI=1S/C18H29N5O/c1-2-8-22(7-1)17-5-6-19-18(20-17)23-9-3-4-16(15-23)14-21-10-12-24-13-11-21/h5-6,16H,1-4,7-15H2/t16-/m0/s1
InChIKeyKFNRLSGGURAJKK-INIZCTEOSA-N
MW331.46 g/mol
LogP1.63
Rot. Bonds4

About 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine

4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 97318478) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
PubChem CID97318478
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
SMILESc1cc(N2CCCC2)nc(N2CCC[C@@H](CN3CCOCC3)C2)n1
InChIInChI=1S/C18H29N5O/c1-2-8-22(7-1)17-5-6-19-18(20-17)23-9-3-4-16(15-23)14-21-10-12-24-13-11-21/h5-6,16H,1-4,7-15H2/t16-/m0/s1
InChIKeyKFNRLSGGURAJKK-INIZCTEOSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 75422646
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
CID 99855918
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 51505424
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494
1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829686
4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
CID 95847079
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95624717
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine (CID 97318478) is 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine is c1cc(N2CCCC2)nc(N2CCC[C@@H](CN3CCOCC3)C2)n1.
What is the InChIKey of 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is KFNRLSGGURAJKK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-8-22(7-1)17-5-6-19-18(20-17)23-9-3-4-16(15-23)14-21-10-12-24-13-11-21/h5-6,16H,1-4,7-15H2/t16-/m0/s1.
What are the key properties of 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine?
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 331.46 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 97318478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).