2-chloro-9-phenyl-6-piperidin-1-ylpurine

C16H16ClN5 — CID 53496023

IUPAC2-chloro-9-phenyl-6-piperidin-1-ylpurine
SMILESClc1nc(N2CCCCC2)c2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C16H16ClN5/c17-16-19-14(21-9-5-2-6-10-21)13-15(20-16)22(11-18-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeySXABTXGIFYVFDS-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.46
Rot. Bonds2

About 2-chloro-9-phenyl-6-piperidin-1-ylpurine

2-chloro-9-phenyl-6-piperidin-1-ylpurine (PubChem CID 53496023) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-9-phenyl-6-piperidin-1-ylpurine.

Molecular Properties

Compound Name2-chloro-9-phenyl-6-piperidin-1-ylpurine
PubChem CID53496023
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name2-chloro-9-phenyl-6-piperidin-1-ylpurine
SMILESClc1nc(N2CCCCC2)c2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C16H16ClN5/c17-16-19-14(21-9-5-2-6-10-21)13-15(20-16)22(11-18-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeySXABTXGIFYVFDS-UHFFFAOYSA-N
XLogP3.46
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-chlorophenyl)-6-piperidin-1-ylpurine
CID 23730289
2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine
CID 155102822
4-[9-(4-methylphenyl)-6-pyrrolidin-1-ylpurin-2-yl]phenol
CID 135932610
(3R,4S,5R)-2-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 90702412
8-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693490
6-(4,6-dimethyl-1,4-diazepan-1-yl)-9-phenylpurine
CID 166243479
3,5-dichloro-2-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10430594
1-phenylpiperidine;phosphenous acid
CID 174871848
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine
CID 59517761
9-phenylpurine-2,6-diamine;dihydrochloride
CID 141031122
1-(2-chloro-9-ethylpurin-6-yl)piperidin-4-ol
CID 168921173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-phenyl-6-piperidin-1-ylpurine?
The IUPAC name of 2-chloro-9-phenyl-6-piperidin-1-ylpurine (CID 53496023) is 2-chloro-9-phenyl-6-piperidin-1-ylpurine.
What is the SMILES notation for 2-chloro-9-phenyl-6-piperidin-1-ylpurine?
The canonical SMILES for 2-chloro-9-phenyl-6-piperidin-1-ylpurine is Clc1nc(N2CCCCC2)c2ncn(-c3ccccc3)c2n1.
What is the InChIKey of 2-chloro-9-phenyl-6-piperidin-1-ylpurine?
The InChIKey is SXABTXGIFYVFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-16-19-14(21-9-5-2-6-10-21)13-15(20-16)22(11-18-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 2-chloro-9-phenyl-6-piperidin-1-ylpurine?
2-chloro-9-phenyl-6-piperidin-1-ylpurine has a molecular weight of 313.79 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-phenyl-6-piperidin-1-ylpurine is sourced from PubChem (CID 53496023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).