1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol

C20H35N5O — CID 72874533

IUPAC1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol
SMILESCCCc1cc(N2CCC(NCC3(O)CCN(C)CC3)CC2)nc(C)n1
InChIInChI=1S/C20H35N5O/c1-4-5-18-14-19(23-16(2)22-18)25-10-6-17(7-11-25)21-15-20(26)8-12-24(3)13-9-20/h14,17,21,26H,4-13,15H2,1-3H3
InChIKeyJOQGYPJKNUTBPW-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.75
Rot. Bonds6

About 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol

1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol (PubChem CID 72874533) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol
PubChem CID72874533
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol
SMILESCCCc1cc(N2CCC(NCC3(O)CCN(C)CC3)CC2)nc(C)n1
InChIInChI=1S/C20H35N5O/c1-4-5-18-14-19(23-16(2)22-18)25-10-6-17(7-11-25)21-15-20(26)8-12-24(3)13-9-20/h14,17,21,26H,4-13,15H2,1-3H3
InChIKeyJOQGYPJKNUTBPW-UHFFFAOYSA-N
XLogP1.75
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol (CID 72874533) is 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol is CCCc1cc(N2CCC(NCC3(O)CCN(C)CC3)CC2)nc(C)n1.
What is the InChIKey of 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol?
The InChIKey is JOQGYPJKNUTBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-4-5-18-14-19(23-16(2)22-18)25-10-6-17(7-11-25)21-15-20(26)8-12-24(3)13-9-20/h14,17,21,26H,4-13,15H2,1-3H3.
What are the key properties of 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol?
1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol has a molecular weight of 361.53 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]piperidin-4-ol is sourced from PubChem (CID 72874533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).