2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride

C14H22ClN3O — CID 45265071

IUPAC2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
SMILESCl.c1cnc(OCC2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C14H21N3O.ClH/c1-6-15-14(16-7-1)18-11-13-4-8-17(9-5-13)10-12-2-3-12;/h1,6-7,12-13H,2-5,8-11H2;1H
InChIKeyRHHCORCUITXEDJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.40
Rot. Bonds5

About 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride

2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride (PubChem CID 45265071) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
PubChem CID45265071
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
SMILESCl.c1cnc(OCC2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C14H21N3O.ClH/c1-6-15-14(16-7-1)18-11-13-4-8-17(9-5-13)10-12-2-3-12;/h1,6-7,12-13H,2-5,8-11H2;1H
InChIKeyRHHCORCUITXEDJ-UHFFFAOYSA-N
XLogP2.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride?
The IUPAC name of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride (CID 45265071) is 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride is Cl.c1cnc(OCC2CCN(CC3CC3)CC2)nc1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride?
The InChIKey is RHHCORCUITXEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-6-15-14(16-7-1)18-11-13-4-8-17(9-5-13)10-12-2-3-12;/h1,6-7,12-13H,2-5,8-11H2;1H.
What are the key properties of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride?
2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride is sourced from PubChem (CID 45265071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).