4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride

C14H22Cl2N4O2 — CID 87606220

IUPAC4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride
SMILESCl.Clc1cc(OCC2CCNCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H21ClN4O2.ClH/c15-12-9-13(21-10-11-1-3-16-4-2-11)18-14(17-12)19-5-7-20-8-6-19;/h9,11,16H,1-8,10H2;1H
InChIKeyBPIWFGRFQZSWSO-UHFFFAOYSA-N
MW349.26 g/mol
LogP1.77
Rot. Bonds4

About 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride

4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride (PubChem CID 87606220) has the molecular formula C14H22Cl2N4O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride
PubChem CID87606220
Molecular FormulaC14H22Cl2N4O2
Molecular Weight349.26 g/mol
Exact Mass348.11
IUPAC Name4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride
SMILESCl.Clc1cc(OCC2CCNCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H21ClN4O2.ClH/c15-12-9-13(21-10-11-1-3-16-4-2-11)18-14(17-12)19-5-7-20-8-6-19;/h9,11,16H,1-8,10H2;1H
InChIKeyBPIWFGRFQZSWSO-UHFFFAOYSA-N
XLogP1.77
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride?
The IUPAC name of 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride (CID 87606220) is 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride is Cl.Clc1cc(OCC2CCNCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride?
The InChIKey is BPIWFGRFQZSWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2.ClH/c15-12-9-13(21-10-11-1-3-16-4-2-11)18-14(17-12)19-5-7-20-8-6-19;/h9,11,16H,1-8,10H2;1H.
What are the key properties of 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride?
4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(piperidin-4-ylmethoxy)pyrimidin-2-yl]morpholine;hydrochloride is sourced from PubChem (CID 87606220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).