[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C22H31N5O — CID 133299300

IUPAC[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2CCCCN2Cc2ccccc2)ncn1
InChIInChI=1S/C22H31N5O/c28-16-20-10-6-12-27(20)22-13-21(24-17-25-22)23-14-19-9-4-5-11-26(19)15-18-7-2-1-3-8-18/h1-3,7-8,13,17,19-20,28H,4-6,9-12,14-16H2,(H,23,24,25)
InChIKeyNIRAMHGYRJLRTL-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.90
Rot. Bonds7

About [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133299300) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133299300
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2CCCCN2Cc2ccccc2)ncn1
InChIInChI=1S/C22H31N5O/c28-16-20-10-6-12-27(20)22-13-21(24-17-25-22)23-14-19-9-4-5-11-26(19)15-18-7-2-1-3-8-18/h1-3,7-8,13,17,19-20,28H,4-6,9-12,14-16H2,(H,23,24,25)
InChIKeyNIRAMHGYRJLRTL-UHFFFAOYSA-N
XLogP2.90
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 122047255
[1-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133399563
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
[1-[6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133331301
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-[6-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297512
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
[1-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133348730
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122047934
[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133299300) is [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCC2CCCCN2Cc2ccccc2)ncn1.
What is the InChIKey of [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is NIRAMHGYRJLRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c28-16-20-10-6-12-27(20)22-13-21(24-17-25-22)23-14-19-9-4-5-11-26(19)15-18-7-2-1-3-8-18/h1-3,7-8,13,17,19-20,28H,4-6,9-12,14-16H2,(H,23,24,25).
What are the key properties of [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 381.52 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133299300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).