4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine

C14H21N3 — CID 73440387

IUPAC4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine
SMILESCc1cncnc1C1CCN(CC2CC2)CC1
InChIInChI=1S/C14H21N3/c1-11-8-15-10-16-14(11)13-4-6-17(7-5-13)9-12-2-3-12/h8,10,12-13H,2-7,9H2,1H3
InChIKeyMVTWTTBHRBESRS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.37
Rot. Bonds3

About 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine

4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine (PubChem CID 73440387) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine
PubChem CID73440387
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine
SMILESCc1cncnc1C1CCN(CC2CC2)CC1
InChIInChI=1S/C14H21N3/c1-11-8-15-10-16-14(11)13-4-6-17(7-5-13)9-12-2-3-12/h8,10,12-13H,2-7,9H2,1H3
InChIKeyMVTWTTBHRBESRS-UHFFFAOYSA-N
XLogP2.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine?
The IUPAC name of 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine (CID 73440387) is 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine is Cc1cncnc1C1CCN(CC2CC2)CC1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine?
The InChIKey is MVTWTTBHRBESRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-8-15-10-16-14(11)13-4-6-17(7-5-13)9-12-2-3-12/h8,10,12-13H,2-7,9H2,1H3.
What are the key properties of 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine?
4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine has a molecular weight of 231.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrimidine is sourced from PubChem (CID 73440387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).