4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

C30H35Cl4N7 — CID 162214301

About 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 162214301) has the molecular formula C30H35Cl4N7 and a molecular weight of 635.47 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
• PubChem CID: 162214301
• Molecular Formula: C30H35Cl4N7
• Molecular Weight: 635.47 g/mol
• Exact Mass: 633.17
• IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
• SMILES: NC1(Cc2ccc(Cl)cc2Cl)CCN(c2ncnc3[nH]ccc23)CC1.NC1(Cc2ccc(Cl)cc2Cl)CCNCC1
• InChI: InChI=1S/C18H19Cl2N5.C12H16Cl2N2/c19-13-2-1-12(15(20)9-13)10-18(21)4-7-25(8-5-18)17-14-3-6-22-16(14)23-11-24-17;13-10-2-1-9(11(14)7-10)8-12(15)3-5-16-6-4-12/h1-3,6,9,11H,4-5,7-8,10,21H2,(H,22,23,24);1-2,7,16H,3-6,8,15H2
• InChIKey: ZTGLQWOJOPICLK-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 108.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.47
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?

The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 162214301) is 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?

The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is NC1(Cc2ccc(Cl)cc2Cl)CCN(c2ncnc3[nH]ccc23)CC1.NC1(Cc2ccc(Cl)cc2Cl)CCNCC1.

What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?

The InChIKey is ZTGLQWOJOPICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5.C12H16Cl2N2/c19-13-2-1-12(15(20)9-13)10-18(21)4-7-25(8-5-18)17-14-3-6-22-16(14)23-11-24-17;13-10-2-1-9(11(14)7-10)8-12(15)3-5-16-6-4-12/h1-3,6,9,11H,4-5,7-8,10,21H2,(H,22,23,24);1-2,7,16H,3-6,8,15H2.

What are the key properties of 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?

4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 635.47 g/mol, XLogP of 6.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-dichlorophenyl)methyl]piperidin-4-amine;4-[(2,4-dichlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 162214301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).