(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine

C19H25N5O — CID 171084156

IUPAC(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
SMILESc1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1
InChIInChI=1S/C19H25N5O/c1-2-5-16(6-3-1)22-17-7-4-8-24(14-17)19-13-18(20-15-21-19)23-9-11-25-12-10-23/h1-3,5-6,13,15,17,22H,4,7-12,14H2/t17-/m0/s1
InChIKeyXIISDMNJPGRRIP-KRWDZBQOSA-N
MW339.44 g/mol
LogP2.39
Rot. Bonds4

About (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine

(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine (PubChem CID 171084156) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
PubChem CID171084156
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
SMILESc1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1
InChIInChI=1S/C19H25N5O/c1-2-5-16(6-3-1)22-17-7-4-8-24(14-17)19-13-18(20-15-21-19)23-9-11-25-12-10-23/h1-3,5-6,13,15,17,22H,4,7-12,14H2/t17-/m0/s1
InChIKeyXIISDMNJPGRRIP-KRWDZBQOSA-N
XLogP2.39
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122048024
4-chloro-2-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]benzonitrile
CID 133309975
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 162368315
[6-[(3R)-3-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]methanol
CID 177305968
1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 126777315
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
CID 124559461
(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
CID 97349084
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine
CID 166212705
(3-anilinopiperidin-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 24792021

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine?
The IUPAC name of (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine (CID 171084156) is (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine?
The canonical SMILES for (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine is c1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1.
What is the InChIKey of (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine?
The InChIKey is XIISDMNJPGRRIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-5-16(6-3-1)22-17-7-4-8-24(14-17)19-13-18(20-15-21-19)23-9-11-25-12-10-23/h1-3,5-6,13,15,17,22H,4,7-12,14H2/t17-/m0/s1.
What are the key properties of (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine?
(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine has a molecular weight of 339.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine is sourced from PubChem (CID 171084156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).