3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol

C18H22N4O — CID 117211668

IUPAC3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol
SMILESNC1CCN(c2cnc(C3CC3)nc2-c2cccc(O)c2)CC1
InChIInChI=1S/C18H22N4O/c19-14-6-8-22(9-7-14)16-11-20-18(12-4-5-12)21-17(16)13-2-1-3-15(23)10-13/h1-3,10-12,14,23H,4-9,19H2
InChIKeyZHAPGDQYVIDKDO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.65
Rot. Bonds3

About 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol

3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol (PubChem CID 117211668) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol
PubChem CID117211668
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol
SMILESNC1CCN(c2cnc(C3CC3)nc2-c2cccc(O)c2)CC1
InChIInChI=1S/C18H22N4O/c19-14-6-8-22(9-7-14)16-11-20-18(12-4-5-12)21-17(16)13-2-1-3-15(23)10-13/h1-3,10-12,14,23H,4-9,19H2
InChIKeyZHAPGDQYVIDKDO-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
CID 117211071
1-(2-cyclohexyl-4-cyclopropylpyrimidin-5-yl)piperidin-4-amine
CID 117211421
2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol
CID 136934488
2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol
CID 136934519
1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
CID 117211255
1-(2-cyclobutyl-4-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117212011
2-[5-(4-aminopiperidin-1-yl)-4-methylpyrimidin-2-yl]phenol
CID 136934608
1-(6-cyclopropyl-2-pyridinyl)piperidin-4-amine
CID 83836240
3-(3-aminopyrrolidin-1-yl)phenol
CID 57034127
1-(2-cyclobutylpyrimidin-5-yl)piperidin-4-amine
CID 117212262
2-[4-(4-aminopiperidin-1-yl)-5-cyclopropylpyrazol-1-yl]phenol
CID 117210810
1-quinolin-8-ylpiperidin-4-amine
CID 81224219

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol?
The IUPAC name of 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol (CID 117211668) is 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol?
The canonical SMILES for 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol is NC1CCN(c2cnc(C3CC3)nc2-c2cccc(O)c2)CC1.
What is the InChIKey of 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol?
The InChIKey is ZHAPGDQYVIDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-14-6-8-22(9-7-14)16-11-20-18(12-4-5-12)21-17(16)13-2-1-3-15(23)10-13/h1-3,10-12,14,23H,4-9,19H2.
What are the key properties of 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol?
3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol has a molecular weight of 310.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-aminopiperidin-1-yl)-2-cyclopropylpyrimidin-4-yl]phenol is sourced from PubChem (CID 117211668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).