[3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol

C19H30N4O2 — CID 72907270

IUPAC[3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(Cc2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H30N4O2/c24-15-19(10-16-2-3-16)4-1-5-22(14-19)13-17-11-20-18(21-12-17)23-6-8-25-9-7-23/h11-12,16,24H,1-10,13-15H2
InChIKeyMFOAJKKNTBOIKN-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.69
Rot. Bonds6

About [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol

[3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol (PubChem CID 72907270) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
PubChem CID72907270
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(Cc2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H30N4O2/c24-15-19(10-16-2-3-16)4-1-5-22(14-19)13-17-11-20-18(21-12-17)23-6-8-25-9-7-23/h11-12,16,24H,1-10,13-15H2
InChIKeyMFOAJKKNTBOIKN-UHFFFAOYSA-N
XLogP1.69
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol (CID 72907270) is [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol is OCC1(CC2CC2)CCCN(Cc2cnc(N3CCOCC3)nc2)C1.
What is the InChIKey of [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is MFOAJKKNTBOIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-15-19(10-16-2-3-16)4-1-5-22(14-19)13-17-11-20-18(21-12-17)23-6-8-25-9-7-23/h11-12,16,24H,1-10,13-15H2.
What are the key properties of [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
[3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 346.48 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 72907270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).