4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride

C16H26BrCl2N3O — CID 119899114

IUPAC4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN3O.2ClH/c17-14-5-3-13(4-6-14)12-20-10-7-15(8-11-20)19-16(21)2-1-9-18;;/h3-6,15H,1-2,7-12,18H2,(H,19,21);2*1H
InChIKeyFTHXFCIFRCCADU-UHFFFAOYSA-N
MW427.21 g/mol
LogP3.11
Rot. Bonds6

About 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride

4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride (PubChem CID 119899114) has the molecular formula C16H26BrCl2N3O and a molecular weight of 427.21 g/mol. Its IUPAC name is 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
PubChem CID119899114
Molecular FormulaC16H26BrCl2N3O
Molecular Weight427.21 g/mol
Exact Mass425.06
IUPAC Name4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN3O.2ClH/c17-14-5-3-13(4-6-14)12-20-10-7-15(8-11-20)19-16(21)2-1-9-18;;/h3-6,15H,1-2,7-12,18H2,(H,19,21);2*1H
InChIKeyFTHXFCIFRCCADU-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
CID 119899075
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(methylamino)butanamide
CID 119899083
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119899073
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119899112
3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 120504323
3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119891190
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
4-bromo-N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 60550207

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride (CID 119899114) is 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride?
The InChIKey is FTHXFCIFRCCADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O.2ClH/c17-14-5-3-13(4-6-14)12-20-10-7-15(8-11-20)19-16(21)2-1-9-18;;/h3-6,15H,1-2,7-12,18H2,(H,19,21);2*1H.
What are the key properties of 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride?
4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride has a molecular weight of 427.21 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119899114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).