N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine

C15H22Cl2N2 — CID 69343846

IUPACN-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine
SMILESCCC(C)N(c1cc(Cl)cc(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-3-11(2)19(14-4-6-18-7-5-14)15-9-12(16)8-13(17)10-15/h8-11,14,18H,3-7H2,1-2H3
InChIKeyXCOSNVUJRHIZQE-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.35
Rot. Bonds4

About N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine

N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine (PubChem CID 69343846) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine
PubChem CID69343846
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine
SMILESCCC(C)N(c1cc(Cl)cc(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-3-11(2)19(14-4-6-18-7-5-14)15-9-12(16)8-13(17)10-15/h8-11,14,18H,3-7H2,1-2H3
InChIKeyXCOSNVUJRHIZQE-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine?
The IUPAC name of N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine (CID 69343846) is N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine.
What is the SMILES notation for N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine?
The canonical SMILES for N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine is CCC(C)N(c1cc(Cl)cc(Cl)c1)C1CCNCC1.
What is the InChIKey of N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine?
The InChIKey is XCOSNVUJRHIZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-3-11(2)19(14-4-6-18-7-5-14)15-9-12(16)8-13(17)10-15/h8-11,14,18H,3-7H2,1-2H3.
What are the key properties of N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine?
N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine has a molecular weight of 301.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(3,5-dichlorophenyl)piperidin-4-amine is sourced from PubChem (CID 69343846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).